(3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one

C22H21NO — CID 122397451

IUPAC(3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one
SMILESCc1cccc(N[C@H](CC(=O)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H21NO/c1-17-9-8-14-20(15-17)23-21(18-10-4-2-5-11-18)16-22(24)19-12-6-3-7-13-19/h2-15,21,23H,16H2,1H3/t21-/m1/s1
InChIKeyWPTQNBOXMHQEQL-OAQYLSRUSA-N
MW315.42 g/mol
LogP5.42
Rot. Bonds6

About (3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one

(3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one (PubChem CID 122397451) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is (3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one
PubChem CID122397451
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name(3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one
SMILESCc1cccc(N[C@H](CC(=O)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H21NO/c1-17-9-8-14-20(15-17)23-21(18-10-4-2-5-11-18)16-22(24)19-12-6-3-7-13-19/h2-15,21,23H,16H2,1H3/t21-/m1/s1
InChIKeyWPTQNBOXMHQEQL-OAQYLSRUSA-N
XLogP5.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one
CID 132592096
3-(4-ethoxyphenyl)-3-(3-methylanilino)-1-phenylpropan-1-one
CID 132592101
(3R)-3-(3-bromoanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 92512541
3-(3-bromoanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 17384404
3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
CID 2933530
(3S)-1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-(3-methylanilino)propan-1-one
CID 40978401
3-(3-methylanilino)-1-(4-methylphenyl)-3-(4-nitrophenyl)propan-1-one
CID 132593538
3-(3-bromoanilino)-1-(4-fluorophenyl)-3-phenylpropan-1-one
CID 2975163
1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one
CID 154717560
3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 132592034
(3R)-3-(4-fluorophenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 766742
(3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 971422

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one?
The IUPAC name of (3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one (CID 122397451) is (3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one.
What is the SMILES notation for (3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one?
The canonical SMILES for (3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one is Cc1cccc(N[C@H](CC(=O)c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one?
The InChIKey is WPTQNBOXMHQEQL-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21NO/c1-17-9-8-14-20(15-17)23-21(18-10-4-2-5-11-18)16-22(24)19-12-6-3-7-13-19/h2-15,21,23H,16H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one?
(3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one has a molecular weight of 315.42 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one is sourced from PubChem (CID 122397451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).