1-[2-(aminomethyl)phenyl]-2-hydroxyethanone

C9H11NO2 — CID 163539721

IUPAC1-[2-(aminomethyl)phenyl]-2-hydroxyethanone
SMILESNCc1ccccc1C(=O)CO
InChIInChI=1S/C9H11NO2/c10-5-7-3-1-2-4-8(7)9(12)6-11/h1-4,11H,5-6,10H2
InChIKeyFABTUOQUFBYSED-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.32
Rot. Bonds3

About 1-[2-(aminomethyl)phenyl]-2-hydroxyethanone

1-[2-(aminomethyl)phenyl]-2-hydroxyethanone (PubChem CID 163539721) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-2-hydroxyethanone
PubChem CID163539721
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-[2-(aminomethyl)phenyl]-2-hydroxyethanone
SMILESNCc1ccccc1C(=O)CO
InChIInChI=1S/C9H11NO2/c10-5-7-3-1-2-4-8(7)9(12)6-11/h1-4,11H,5-6,10H2
InChIKeyFABTUOQUFBYSED-UHFFFAOYSA-N
XLogP0.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)phenyl]-2-bromoethanone
CID 150045580
2-(aminomethyl)benzoyl chloride
CID 82503183
2-[2-[2-(aminomethyl)phenyl]-2-oxoethyl]propanedinitrile
CID 151977850
bis[2-(aminomethyl)phenyl]methanethione
CID 87478627
2-[[2-(aminomethyl)benzoyl]amino]acetic acid
CID 57129733
ethyl 2-[2-(aminomethyl)phenyl]-2-oxoacetate
CID 174607647
[2-(1-chloroethenyl)phenyl]methanamine
CID 172698526
1,1,5,5-tetrakis[2-(aminomethyl)phenyl]pentan-3-one
CID 174948775
2-[[2-(aminomethyl)benzoyl]amino]-3-hydroxypropanoic acid
CID 82547100
2-(aminomethyl)-N-methoxy-N-methylbenzamide
CID 82505220
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532
1-[2-(aminomethyl)phenyl]-4-(4-butylpiperazin-1-yl)butan-1-one
CID 151007578

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-2-hydroxyethanone?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-2-hydroxyethanone (CID 163539721) is 1-[2-(aminomethyl)phenyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-2-hydroxyethanone?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-2-hydroxyethanone is NCc1ccccc1C(=O)CO.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-2-hydroxyethanone?
The InChIKey is FABTUOQUFBYSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c10-5-7-3-1-2-4-8(7)9(12)6-11/h1-4,11H,5-6,10H2.
What are the key properties of 1-[2-(aminomethyl)phenyl]-2-hydroxyethanone?
1-[2-(aminomethyl)phenyl]-2-hydroxyethanone has a molecular weight of 165.19 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-2-hydroxyethanone is sourced from PubChem (CID 163539721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).