(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one

C17H19NO — CID 59048252

IUPAC(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
SMILESCN[C@@H](Cc1ccc(-c2ccccc2)cc1)C(C)=O
InChIInChI=1S/C17H19NO/c1-13(19)17(18-2)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3/t17-/m0/s1
InChIKeyKIARRFOKLXIQMI-KRWDZBQOSA-N
MW253.34 g/mol
LogP3.07
Rot. Bonds5

About (3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one

(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one (PubChem CID 59048252) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one.

Molecular Properties

Compound Name(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
PubChem CID59048252
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
SMILESCN[C@@H](Cc1ccc(-c2ccccc2)cc1)C(C)=O
InChIInChI=1S/C17H19NO/c1-13(19)17(18-2)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3/t17-/m0/s1
InChIKeyKIARRFOKLXIQMI-KRWDZBQOSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
(3R)-3-(methylamino)-4-(4-methylphenyl)butan-2-one
CID 58858482
N-[3-[4-[(2S)-2-(methylamino)-3-oxobutyl]phenyl]phenyl]acetamide
CID 58904339
(2S)-2-[[(2S)-2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 175824879
(3S)-3-(methylamino)-4-(4-phenylmethoxyphenyl)butan-2-one
CID 58904369
3-bromo-4-(4-phenylphenyl)butan-2-one
CID 62393399
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(3S)-3-(hydroxyamino)-4-phenylbutan-2-one
CID 121371812
3-amino-4-(4-phenylphenyl)butan-2-one;ethane
CID 176709550
(2S)-3-[4-(4-fluorophenyl)phenyl]-2-(methylamino)propanoic acid
CID 162376814
1-hydroxycyclopropane-1-carbaldehyde;3-(methylamino)-4-phenylbutan-2-one
CID 176961743

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one?
The IUPAC name of (3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one (CID 59048252) is (3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one.
What is the SMILES notation for (3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one?
The canonical SMILES for (3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one is CN[C@@H](Cc1ccc(-c2ccccc2)cc1)C(C)=O.
What is the InChIKey of (3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one?
The InChIKey is KIARRFOKLXIQMI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19NO/c1-13(19)17(18-2)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one?
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one has a molecular weight of 253.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one is sourced from PubChem (CID 59048252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).