(2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one

C18H21NO — CID 94514227

IUPAC(2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one
SMILESC[C@@H](CN(C)Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H21NO/c1-15(18(20)17-11-7-4-8-12-17)13-19(2)14-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1
InChIKeyOIVGLKASIPOPKY-HNNXBMFYSA-N
MW267.37 g/mol
LogP3.64
Rot. Bonds6

About (2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one

(2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one (PubChem CID 94514227) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one
PubChem CID94514227
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one
SMILESC[C@@H](CN(C)Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H21NO/c1-15(18(20)17-11-7-4-8-12-17)13-19(2)14-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1
InChIKeyOIVGLKASIPOPKY-HNNXBMFYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[methyl(propan-2-yl)amino]-1-phenylpropan-1-one
CID 62611631
4-[[2-carboxypropyl(methyl)amino]methyl]benzoic acid
CID 82328751
3-[benzoyl(benzyl)amino]-2-methylpropanoic acid
CID 82324559
3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-one
CID 114953371
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one
CID 63712860
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62613157
3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one
CID 62611635
2-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoic acid
CID 55031151
N-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide
CID 90765591
1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol
CID 153440075

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one?
The IUPAC name of (2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one (CID 94514227) is (2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for (2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for (2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one is C[C@@H](CN(C)Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of (2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one?
The InChIKey is OIVGLKASIPOPKY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21NO/c1-15(18(20)17-11-7-4-8-12-17)13-19(2)14-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one?
(2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one has a molecular weight of 267.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 94514227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).