3-Methoxy-5-phenylaniline

CAT: 0127-OR955414Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR955414Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

383870-84-6

MDL Number

MFCD20702469

Purity

98%

Smiles

COc1cc(N)cc(c1)c2ccccc2

Chemical Information

5-Methoxy-[1,1'-biphenyl]-3-amine

CAS Number	383870-84-6
PubChem CID	22283172
IUPAC Name	3-methoxy-5-phenylaniline
Molecular Formula	C13H13NO
Molecular Weight	199.25
XLogP	2.8
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	189

SMILES

COC1=CC(=CC(=C1)N)C2=CC=CC=C2

InChI

InChI=1S/C13H13NO/c1-15-13-8-11(7-12(14)9-13)10-5-3-2-4-6-10/h2-9H,14H2,1H3

InChIKey

JJRDMRVZWWBTHY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 383870-84-6

CID: 22283172

Formula: C13H13NO

MW: 199.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	199.25
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	199.099714038
Monoisotopic Mass	199.099714038
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	189
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR55248-01	4-Methoxy-N-phenylaniline
OR1096196	5-Methyl-2-phenylaniline
OR1021319	2-Pentyloxy-5-phenylaniline
PC1021467	3-Fluoro-4-phenylaniline
OR1024678-01	3-Chloro-N-Phenylaniline
OR95285-01	4-Methoxy-N- (4-methoxyphenyl) -N-phenylaniline
OR1094995-01	N,3-dimethyl-N-phenylaniline
OR94231-01	5-Bromo-2-nitro-N-phenylaniline
OR1098749-01	N-benzyl-3-methyl-N-phenylaniline
OR1065008-01	5-Methoxy-3-methylbenzofuran

Catalog	Name
RG-A263375-01	3-Methoxy-N-Phenylaniline
433008	4-Methoxy-N-phenylaniline
IDA24591-01	3-Methyl-5-phenylaniline
JH320361	3,5-dimethyl-N-phenylaniline
sc-280285	2-Pentyloxy-5-phenylaniline
IHB11408-01	2-Methoxy-4-methyl-N-phenylaniline
ECA14794-01	5-Methyl-2-phenylaniline
DUA40355-01	2-Fluoro-5-phenylaniline
T21197-01	3-Hydroxy-N-phenylaniline
RG-E140297-01	3-nitro-N-phenylaniline