[(1S)-2-[benzyl(methyl)amino]-1-phenylethyl] acetate

C18H21NO2 — CID 14059972

IUPAC[(1S)-2-[benzyl(methyl)amino]-1-phenylethyl] acetate
SMILESCC(=O)O[C@H](CN(C)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-15(20)21-18(17-11-7-4-8-12-17)14-19(2)13-16-9-5-3-6-10-16/h3-12,18H,13-14H2,1-2H3/t18-/m1/s1
InChIKeyABSXIWWDOJDZIC-GOSISDBHSA-N
MW283.37 g/mol
LogP3.42
Rot. Bonds6

About [(1S)-2-[benzyl(methyl)amino]-1-phenylethyl] acetate

[(1S)-2-[benzyl(methyl)amino]-1-phenylethyl] acetate (PubChem CID 14059972) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is [(1S)-2-[benzyl(methyl)amino]-1-phenylethyl] acetate.

Molecular Properties

Compound Name[(1S)-2-[benzyl(methyl)amino]-1-phenylethyl] acetate
PubChem CID14059972
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name[(1S)-2-[benzyl(methyl)amino]-1-phenylethyl] acetate
SMILESCC(=O)O[C@H](CN(C)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-15(20)21-18(17-11-7-4-8-12-17)14-19(2)13-16-9-5-3-6-10-16/h3-12,18H,13-14H2,1-2H3/t18-/m1/s1
InChIKeyABSXIWWDOJDZIC-GOSISDBHSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-2-methoxy-1-phenylethyl] acetate
CID 101055201
[2-[acetyl(cyclohexyl)amino]-1-phenylethyl] acetate
CID 4079034
[(1S)-1-phenylpentyl] acetate
CID 12651064
3-[benzyl(methyl)amino]-1,1-diphenylpropan-2-ol
CID 12549048
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
3-acetyloxy-3-phenylpropanoic acid;1,1'-biphenyl
CID 19790806
(2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one
CID 94514227
[1-phenyl-2-(propan-2-ylamino)ethyl] acetate
CID 54509010
[2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate
CID 22297806
[(2S)-1-chloro-3-(dibenzylamino)propan-2-yl] acetate
CID 89478837
N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide
CID 71063617
[(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2-iodobenzoate
CID 989930

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-[benzyl(methyl)amino]-1-phenylethyl] acetate?
The IUPAC name of [(1S)-2-[benzyl(methyl)amino]-1-phenylethyl] acetate (CID 14059972) is [(1S)-2-[benzyl(methyl)amino]-1-phenylethyl] acetate.
What is the SMILES notation for [(1S)-2-[benzyl(methyl)amino]-1-phenylethyl] acetate?
The canonical SMILES for [(1S)-2-[benzyl(methyl)amino]-1-phenylethyl] acetate is CC(=O)O[C@H](CN(C)Cc1ccccc1)c1ccccc1.
What is the InChIKey of [(1S)-2-[benzyl(methyl)amino]-1-phenylethyl] acetate?
The InChIKey is ABSXIWWDOJDZIC-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21NO2/c1-15(20)21-18(17-11-7-4-8-12-17)14-19(2)13-16-9-5-3-6-10-16/h3-12,18H,13-14H2,1-2H3/t18-/m1/s1.
What are the key properties of [(1S)-2-[benzyl(methyl)amino]-1-phenylethyl] acetate?
[(1S)-2-[benzyl(methyl)amino]-1-phenylethyl] acetate has a molecular weight of 283.37 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-[benzyl(methyl)amino]-1-phenylethyl] acetate is sourced from PubChem (CID 14059972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).