(2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one

C18H21NO — CID 97356031

IUPAC(2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one
SMILESCN(C)C[C@@H](Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H21NO/c1-19(2)14-17(13-15-9-5-3-6-10-15)18(20)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3/t17-/m1/s1
InChIKeyGWKUOJPCBVXLJQ-QGZVFWFLSA-N
MW267.37 g/mol
LogP3.29
Rot. Bonds6

About (2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one

(2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one (PubChem CID 97356031) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one
PubChem CID97356031
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one
SMILESCN(C)C[C@@H](Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H21NO/c1-19(2)14-17(13-15-9-5-3-6-10-15)18(20)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3/t17-/m1/s1
InChIKeyGWKUOJPCBVXLJQ-QGZVFWFLSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride
CID 18767247
2-[(3,4-dimethoxyphenyl)methyl]-3-(dimethylamino)-1-phenylpropan-1-one
CID 117067752
2-benzyl-3-methoxy-1-phenylpropan-1-one
CID 177312202
2-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1-(3-hydroxyphenyl)propan-1-one;hydrochloride
CID 18767296
2-(dimethylamino)-1,3-diphenylpropan-1-one;hydrochloride
CID 15945335
2-benzyl-1-phenylpent-4-yn-1-one
CID 101071946
(2S)-2-methylsulfonyl-1,3-diphenylpropan-1-one
CID 135042830
3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol
CID 174432305
(Z)-2-benzyl-1,4,5-triphenylpent-4-en-1-one
CID 164673773
2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one
CID 18767233
1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628917
1-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628915

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one?
The IUPAC name of (2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one (CID 97356031) is (2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one.
What is the SMILES notation for (2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one?
The canonical SMILES for (2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one is CN(C)C[C@@H](Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of (2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one?
The InChIKey is GWKUOJPCBVXLJQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21NO/c1-19(2)14-17(13-15-9-5-3-6-10-15)18(20)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one?
(2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one has a molecular weight of 267.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one is sourced from PubChem (CID 97356031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).