1-amino-1-(4-benzylphenyl)butan-2-one

C17H19NO — CID 174899338

IUPAC1-amino-1-(4-benzylphenyl)butan-2-one
SMILESCCC(=O)C(N)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-2-16(19)17(18)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11,17H,2,12,18H2,1H3
InChIKeyLYBGLBBTNUEEFB-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.26
Rot. Bonds5

About 1-amino-1-(4-benzylphenyl)butan-2-one

1-amino-1-(4-benzylphenyl)butan-2-one (PubChem CID 174899338) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-amino-1-(4-benzylphenyl)butan-2-one.

Molecular Properties

Compound Name1-amino-1-(4-benzylphenyl)butan-2-one
PubChem CID174899338
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-amino-1-(4-benzylphenyl)butan-2-one
SMILESCCC(=O)C(N)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-2-16(19)17(18)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11,17H,2,12,18H2,1H3
InChIKeyLYBGLBBTNUEEFB-UHFFFAOYSA-N
XLogP3.26
TPSA43.09 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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-[4-(4-benzylphenoxy)phenyl]acetic acid;hydrochloride
CID 67352020
(1S)-1-(4-benzylphenyl)propan-1-amine
CID 79018348
1-(4-benzylphenyl)ethanamine
CID 3962419
1-amino-1-phenylheptan-2-one
CID 116551276
1-amino-4-methyl-1-phenylhexan-2-one
CID 116551142
(1R)-1-amino-4-methyl-1-phenylhexan-2-one
CID 104891009
2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid
CID 22326285
(1R)-1-amino-3-(4-hydroxyphenyl)-1-phenylpropan-2-one
CID 104891138
(1R)-1-amino-3-methoxy-1-phenylpropan-2-one
CID 104891033
2-amino-1-(3-ethylphenyl)-2-phenylethanone
CID 116551226
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(4-benzylphenyl)butan-2-one?
The IUPAC name of 1-amino-1-(4-benzylphenyl)butan-2-one (CID 174899338) is 1-amino-1-(4-benzylphenyl)butan-2-one.
What is the SMILES notation for 1-amino-1-(4-benzylphenyl)butan-2-one?
The canonical SMILES for 1-amino-1-(4-benzylphenyl)butan-2-one is CCC(=O)C(N)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-amino-1-(4-benzylphenyl)butan-2-one?
The InChIKey is LYBGLBBTNUEEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-16(19)17(18)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11,17H,2,12,18H2,1H3.
What are the key properties of 1-amino-1-(4-benzylphenyl)butan-2-one?
1-amino-1-(4-benzylphenyl)butan-2-one has a molecular weight of 253.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(4-benzylphenyl)butan-2-one is sourced from PubChem (CID 174899338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).