[3-(aminomethyl)phenyl]methyl acetate

C10H13NO2 — CID 147642201

IUPAC[3-(aminomethyl)phenyl]methyl acetate
SMILESCC(=O)OCc1cccc(CN)c1
InChIInChI=1S/C10H13NO2/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3
InChIKeyGHVMUTZPFXXUQN-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.21
Rot. Bonds3

About [3-(aminomethyl)phenyl]methyl acetate

[3-(aminomethyl)phenyl]methyl acetate (PubChem CID 147642201) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]methyl acetate.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]methyl acetate
PubChem CID147642201
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name[3-(aminomethyl)phenyl]methyl acetate
SMILESCC(=O)OCc1cccc(CN)c1
InChIInChI=1S/C10H13NO2/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3
InChIKeyGHVMUTZPFXXUQN-UHFFFAOYSA-N
XLogP1.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(acetyloxymethyl)phenyl]methyl 2-ethylbutanoate
CID 170293826
benzyl acetate
CID 8785
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;carbamic acid
CID 159542161
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
(3-isocyanatophenyl)methyl acetate
CID 15289353
benzyl acetate;formonitrile
CID 175329925
[3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate
CID 23220275
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[3-[(4-propoxyphenyl)methyl]phenyl]methyl acetate
CID 174570174
benzyl acetate;carbon monoxide;chromium
CID 11196913

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]methyl acetate?
The IUPAC name of [3-(aminomethyl)phenyl]methyl acetate (CID 147642201) is [3-(aminomethyl)phenyl]methyl acetate.
What is the SMILES notation for [3-(aminomethyl)phenyl]methyl acetate?
The canonical SMILES for [3-(aminomethyl)phenyl]methyl acetate is CC(=O)OCc1cccc(CN)c1.
What is the InChIKey of [3-(aminomethyl)phenyl]methyl acetate?
The InChIKey is GHVMUTZPFXXUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3.
What are the key properties of [3-(aminomethyl)phenyl]methyl acetate?
[3-(aminomethyl)phenyl]methyl acetate has a molecular weight of 179.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)phenyl]methyl acetate is sourced from PubChem (CID 147642201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).