[2-(aminomethyl)-4-fluorophenyl] acetate

C9H10FNO2 — CID 151844429

IUPAC[2-(aminomethyl)-4-fluorophenyl] acetate
SMILESCC(=O)Oc1ccc(F)cc1CN
InChIInChI=1S/C9H10FNO2/c1-6(12)13-9-3-2-8(10)4-7(9)5-11/h2-4H,5,11H2,1H3
InChIKeySHIUELZSNMQXKD-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.21
Rot. Bonds2

About [2-(aminomethyl)-4-fluorophenyl] acetate

[2-(aminomethyl)-4-fluorophenyl] acetate (PubChem CID 151844429) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is [2-(aminomethyl)-4-fluorophenyl] acetate.

Molecular Properties

Compound Name[2-(aminomethyl)-4-fluorophenyl] acetate
PubChem CID151844429
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name[2-(aminomethyl)-4-fluorophenyl] acetate
SMILESCC(=O)Oc1ccc(F)cc1CN
InChIInChI=1S/C9H10FNO2/c1-6(12)13-9-3-2-8(10)4-7(9)5-11/h2-4H,5,11H2,1H3
InChIKeySHIUELZSNMQXKD-UHFFFAOYSA-N
XLogP1.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[2-(aminomethyl)phenyl] acetate;oxalic acid
CID 70035962
[2-(aminomethyl)-4-fluorophenoxy]boronic acid
CID 151062156
(5-fluoro-2-trimethylsilyloxyphenyl)methanamine
CID 167725830
[2-(bromomethyl)-4-fluorophenyl] carbamate
CID 152652489
[5-(aminomethyl)-2-fluorophenyl] acetate
CID 174670603
bis[2-(aminomethyl)-4-fluorophenyl]methanone
CID 67036129
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107694652
2-acetyloxy-4-fluorobenzoic acid
CID 15902067
[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314373
[2-(aminomethyl)-5-fluorophenyl] N,N-dimethylcarbamate;hydrochloride
CID 67439203
[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
CID 43589964

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-fluorophenyl] acetate?
The IUPAC name of [2-(aminomethyl)-4-fluorophenyl] acetate (CID 151844429) is [2-(aminomethyl)-4-fluorophenyl] acetate.
What is the SMILES notation for [2-(aminomethyl)-4-fluorophenyl] acetate?
The canonical SMILES for [2-(aminomethyl)-4-fluorophenyl] acetate is CC(=O)Oc1ccc(F)cc1CN.
What is the InChIKey of [2-(aminomethyl)-4-fluorophenyl] acetate?
The InChIKey is SHIUELZSNMQXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-6(12)13-9-3-2-8(10)4-7(9)5-11/h2-4H,5,11H2,1H3.
What are the key properties of [2-(aminomethyl)-4-fluorophenyl] acetate?
[2-(aminomethyl)-4-fluorophenyl] acetate has a molecular weight of 183.18 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-fluorophenyl] acetate is sourced from PubChem (CID 151844429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).