3-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylpropan-1-one

C19H23NO — CID 116567154

IUPAC3-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylpropan-1-one
SMILESCC(C)Cc1cccc(C(=O)C(CN)c2ccccc2)c1
InChIInChI=1S/C19H23NO/c1-14(2)11-15-7-6-10-17(12-15)19(21)18(13-20)16-8-4-3-5-9-16/h3-10,12,14,18H,11,13,20H2,1-2H3
InChIKeyBUOYQPFFAYDRDI-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.81
Rot. Bonds6

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

3-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylpropan-1-one (PubChem CID 116567154) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylpropan-1-one
PubChem CID116567154
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name3-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylpropan-1-one
SMILESCC(C)Cc1cccc(C(=O)C(CN)c2ccccc2)c1
InChIInChI=1S/C19H23NO/c1-14(2)11-15-7-6-10-17(12-15)19(21)18(13-20)16-8-4-3-5-9-16/h3-10,12,14,18H,11,13,20H2,1-2H3
InChIKeyBUOYQPFFAYDRDI-UHFFFAOYSA-N
XLogP3.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone
CID 116551357
(2R)-2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone
CID 104891234
3-(2-methylpropyl)benzamide
CID 23130390
1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone
CID 116543260
2-methylpropyl 3-amino-2-phenylpropanoate
CID 62876752
2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one
CID 146007205
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
(2S)-2-[3-(2-methylpropyl)phenyl]propanamide
CID 124743513
2-amino-1-(3-ethylphenyl)-2-phenylethanone
CID 116551226
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
ethyl 2-methyl-3-[3-(2-methylpropyl)phenyl]propanoate
CID 134600479

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylpropan-1-one?
The IUPAC name of 3-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylpropan-1-one (CID 116567154) is 3-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylpropan-1-one is CC(C)Cc1cccc(C(=O)C(CN)c2ccccc2)c1.
What is the InChIKey of 3-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylpropan-1-one?
The InChIKey is BUOYQPFFAYDRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(2)11-15-7-6-10-17(12-15)19(21)18(13-20)16-8-4-3-5-9-16/h3-10,12,14,18H,11,13,20H2,1-2H3.
What are the key properties of 3-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylpropan-1-one?
3-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylpropan-1-one has a molecular weight of 281.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylpropan-1-one is sourced from PubChem (CID 116567154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).