5-Benzyloxygramine

CAT: 0127-BUP17539Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP17539Size:100 mg

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CAS Number

1453-97-0

Purity

=95%

Smiles

CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12

Chemical Information

N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine

CAS Number	1453-97-0
PubChem CID	73814
IUPAC Name	N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine
Molecular Formula	C18H20N2O
Molecular Weight	280.4
XLogP	3.4
Topological Polar Surface Area	28.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	314

SMILES

CN(C)CC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3

InChIKey

POTVAILTNPOQJH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1453-97-0

CID: 73814

Formula: C18H20N2O

MW: 280.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.4
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	280.157563266
Monoisotopic Mass	280.157563266
Topological Polar Surface Area	28.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	314
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
BIB6001	7-Benzyloxygramine
PC7318-01	5,5,5-Trifluoropentanonitrile
OR1058406-01	5,5',5'',5'''-Methanetetrayltetrakis (2-hydroxybenzaldehyde)
PC4455-01	5,5,5-Trifluoropentanoic acid
PC408108	Ethyl 5,5,5-trifluoropentanoate
OR1039438-01	5,5'-Carbonyldiisophthalicacid
OR1005246	5,5'-Bipyrimidine
OR17888	5,5-Dimethylhydantoin
OR1011759-01	5,5-Diphenylhydantoin
OR900845	5,5'-Dimethyldipyrromethane