2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone

C18H21NO — CID 116551357

IUPAC2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone
SMILESCC(C)Cc1cccc(C(=O)C(N)c2ccccc2)c1
InChIInChI=1S/C18H21NO/c1-13(2)11-14-7-6-10-16(12-14)18(20)17(19)15-8-4-3-5-9-15/h3-10,12-13,17H,11,19H2,1-2H3
InChIKeyYULACIVSDMXJPD-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.77
Rot. Bonds5

About 2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone

2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone (PubChem CID 116551357) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone
PubChem CID116551357
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone
SMILESCC(C)Cc1cccc(C(=O)C(N)c2ccccc2)c1
InChIInChI=1S/C18H21NO/c1-13(2)11-14-7-6-10-16(12-14)18(20)17(19)15-8-4-3-5-9-15/h3-10,12-13,17H,11,19H2,1-2H3
InChIKeyYULACIVSDMXJPD-UHFFFAOYSA-N
XLogP3.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone
CID 104891234
2-amino-1-(3-ethylphenyl)-2-phenylethanone
CID 116551226
3-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylpropan-1-one
CID 116567154
3-(2-methylpropyl)benzamide
CID 23130390
1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone
CID 116543260
3-amino-4-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-one
CID 116606467
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
(2S)-2-[3-(2-methylpropyl)phenyl]propanamide
CID 124743513
2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-one
CID 116708645
3-[2,2-bis[4-(2-methylpropyl)phenyl]ethyl]benzoyl chloride
CID 19024843
fluoro 3-(2-methylpropyl)benzoate
CID 176661814

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone?
The IUPAC name of 2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone (CID 116551357) is 2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone.
What is the SMILES notation for 2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone?
The canonical SMILES for 2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone is CC(C)Cc1cccc(C(=O)C(N)c2ccccc2)c1.
What is the InChIKey of 2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone?
The InChIKey is YULACIVSDMXJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(2)11-14-7-6-10-16(12-14)18(20)17(19)15-8-4-3-5-9-15/h3-10,12-13,17H,11,19H2,1-2H3.
What are the key properties of 2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone?
2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone has a molecular weight of 267.37 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone is sourced from PubChem (CID 116551357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).