2- (Diphenylmethoxy) -N-methylethylamine

CAT: 0024-sc-497121Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-497121Size:100 mg

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CAS Number

17471-10-2

Chemical Information

N-Desmethyldiphenhydramine

N-Desmethyldiphenhydramine is a diarylmethane.

CAS Number	17471-10-2
PubChem CID	40791
IUPAC Name	2-benzhydryloxy-N-methylethanamine
Molecular Formula	C16H19NO
Molecular Weight	241.33
XLogP	2.8
Topological Polar Surface Area	21.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	18
Formal Charge	0
Complexity	189

SMILES

CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C16H19NO/c1-17-12-13-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3

InChIKey

AGSLYHYWLYGAOU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17471-10-2

CID: 40791

Formula: C16H19NO

MW: 241.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	241.33
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	241.146664230
Monoisotopic Mass	241.146664230
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	18
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