1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one

C16H17NO — CID 116548233

IUPAC1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one
SMILESNCc1ccc(C(=O)CCc2ccccc2)cc1
InChIInChI=1S/C16H17NO/c17-12-14-6-9-15(10-7-14)16(18)11-8-13-4-2-1-3-5-13/h1-7,9-10H,8,11-12,17H2
InChIKeyUJQNLHVHRDPGBY-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.96
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one

1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one (PubChem CID 116548233) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one
PubChem CID116548233
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one
SMILESNCc1ccc(C(=O)CCc2ccccc2)cc1
InChIInChI=1S/C16H17NO/c17-12-14-6-9-15(10-7-14)16(18)11-8-13-4-2-1-3-5-13/h1-7,9-10H,8,11-12,17H2
InChIKeyUJQNLHVHRDPGBY-UHFFFAOYSA-N
XLogP2.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-iodophenyl)-3-phenylpropan-1-one
CID 43160297
methyl 4-(3-phenylpropanoyl)benzoate
CID 11184731
1-[5-(aminomethyl)furan-2-yl]-3-phenylpropan-1-one
CID 116590055
1,6-diphenylhexane-1,4-dione
CID 70896086
1-[4-(2-iodoethyl)phenyl]-2-phenylethanone
CID 20645066
1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
CID 18351990
3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661
3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one
CID 58190197
N,N-dimethyl-3-[4-(2-phenylacetyl)phenyl]propanamide
CID 22461794
1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one
CID 116547242
4-(4-benzoylphenyl)-1-phenylbutan-1-one
CID 15737707
3-amino-1-[4-(3-fluoropropyl)phenyl]propan-1-one
CID 117298773

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one (CID 116548233) is 1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one is NCc1ccc(C(=O)CCc2ccccc2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one?
The InChIKey is UJQNLHVHRDPGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c17-12-14-6-9-15(10-7-14)16(18)11-8-13-4-2-1-3-5-13/h1-7,9-10H,8,11-12,17H2.
What are the key properties of 1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one?
1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one has a molecular weight of 239.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one is sourced from PubChem (CID 116548233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).