3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one

C16H15NO — CID 174792715

IUPAC3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one
SMILESNCc1ccccc1C=CC(=O)c1ccccc1
InChIInChI=1S/C16H15NO/c17-12-15-9-5-4-6-13(15)10-11-16(18)14-7-2-1-3-8-14/h1-11H,12,17H2
InChIKeySURAKXYXGCWXKF-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.04
Rot. Bonds4

About 3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one

3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one (PubChem CID 174792715) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one
PubChem CID174792715
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one
SMILESNCc1ccccc1C=CC(=O)c1ccccc1
InChIInChI=1S/C16H15NO/c17-12-15-9-5-4-6-13(15)10-11-16(18)14-7-2-1-3-8-14/h1-11H,12,17H2
InChIKeySURAKXYXGCWXKF-UHFFFAOYSA-N
XLogP3.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3,3-diaminoprop-2-enyl)phenyl]-1-phenylprop-2-en-1-one
CID 67928633
3-[2-(2-methylbut-2-enyl)phenyl]-1-phenylprop-2-en-1-one
CID 174912534
N-[2-[2-(aminomethyl)phenyl]ethenyl]benzamide
CID 174871925
4-[3-[2-(aminomethyl)phenyl]prop-2-enoylamino]benzoic acid
CID 175323224
3-(2-ethenylphenyl)-1-phenylprop-2-en-1-one
CID 68920367
4-[3-[2-(aminomethyl)phenyl]prop-2-enoylamino]benzamide
CID 174925024
(E)-3-[2-(cyclopenten-1-ylmethyl)phenyl]-1-phenylprop-2-en-1-one
CID 54597450
2-[2-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl]acetaldehyde
CID 154719442
3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride
CID 69039311
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
(E)-3-(2-ethylphenyl)prop-2-enoic acid
CID 6198622
(E)-3-(6-amino-1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one
CID 146468903

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one?
The IUPAC name of 3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one (CID 174792715) is 3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one is NCc1ccccc1C=CC(=O)c1ccccc1.
What is the InChIKey of 3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one?
The InChIKey is SURAKXYXGCWXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c17-12-15-9-5-4-6-13(15)10-11-16(18)14-7-2-1-3-8-14/h1-11H,12,17H2.
What are the key properties of 3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one?
3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one has a molecular weight of 237.30 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 174792715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).