(1S)-N-benzyl-N-methyl-1-phenylethanamine

C16H19N — CID 122522292

IUPAC(1S)-N-benzyl-N-methyl-1-phenylethanamine
SMILESC[C@@H](c1ccccc1)N(C)Cc1ccccc1
InChIInChI=1S/C16H19N/c1-14(16-11-7-4-8-12-16)17(2)13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3/t14-/m0/s1
InChIKeyWKZKTYMPZABIEF-AWEZNQCLSA-N
MW225.34 g/mol
LogP3.88
Rot. Bonds4

About (1S)-N-benzyl-N-methyl-1-phenylethanamine

(1S)-N-benzyl-N-methyl-1-phenylethanamine (PubChem CID 122522292) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is (1S)-N-benzyl-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-benzyl-N-methyl-1-phenylethanamine
PubChem CID122522292
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name(1S)-N-benzyl-N-methyl-1-phenylethanamine
SMILESC[C@@H](c1ccccc1)N(C)Cc1ccccc1
InChIInChI=1S/C16H19N/c1-14(16-11-7-4-8-12-16)17(2)13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3/t14-/m0/s1
InChIKeyWKZKTYMPZABIEF-AWEZNQCLSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S)-N-benzyl-N-methyl-1-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-benzyl-N'-methyl-1-phenylmethanediamine
CID 118464289
1-benzyl-1-[(1S)-1-phenylethyl]hydrazine
CID 101079144
N-benzyl-N-[(1R)-1-phenylethyl]hydroxylamine
CID 15778138
3-[4-[1-[benzyl(methyl)amino]ethyl]phenyl]-1,1-dimethylurea
CID 13235912
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
N-benzyl-N-methylbutan-2-amine
CID 15496809
(3R)-N-benzyl-N-methyl-3-phenylbutan-1-amine;hydrate
CID 66524871
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
N-methyl-1-phenyl-N-(trimethylsilylmethyl)ethanamine
CID 15113036
(1S)-N-methyl-1-phenyl-N-(trimethylsilylmethyl)ethanamine
CID 141001735
[2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]phenyl]boronic acid
CID 11369216

Frequently Asked Questions

What is the IUPAC name of (1S)-N-benzyl-N-methyl-1-phenylethanamine?
The IUPAC name of (1S)-N-benzyl-N-methyl-1-phenylethanamine (CID 122522292) is (1S)-N-benzyl-N-methyl-1-phenylethanamine.
What is the SMILES notation for (1S)-N-benzyl-N-methyl-1-phenylethanamine?
The canonical SMILES for (1S)-N-benzyl-N-methyl-1-phenylethanamine is C[C@@H](c1ccccc1)N(C)Cc1ccccc1.
What is the InChIKey of (1S)-N-benzyl-N-methyl-1-phenylethanamine?
The InChIKey is WKZKTYMPZABIEF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N/c1-14(16-11-7-4-8-12-16)17(2)13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-N-benzyl-N-methyl-1-phenylethanamine?
(1S)-N-benzyl-N-methyl-1-phenylethanamine has a molecular weight of 225.34 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-benzyl-N-methyl-1-phenylethanamine is sourced from PubChem (CID 122522292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).