2-(4-fluoro-2-methoxyphenyl)ethanamine

C9H12FNO — CID 55254856

IUPAC2-(4-fluoro-2-methoxyphenyl)ethanamine
SMILESCOc1cc(F)ccc1CCN
InChIInChI=1S/C9H12FNO/c1-12-9-6-8(10)3-2-7(9)4-5-11/h2-3,6H,4-5,11H2,1H3
InChIKeyOEGFCVYIFNCXOK-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.34
Rot. Bonds3

About 2-(4-fluoro-2-methoxyphenyl)ethanamine

2-(4-fluoro-2-methoxyphenyl)ethanamine (PubChem CID 55254856) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-(4-fluoro-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-2-methoxyphenyl)ethanamine
PubChem CID55254856
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name2-(4-fluoro-2-methoxyphenyl)ethanamine
SMILESCOc1cc(F)ccc1CCN
InChIInChI=1S/C9H12FNO/c1-12-9-6-8(10)3-2-7(9)4-5-11/h2-3,6H,4-5,11H2,1H3
InChIKeyOEGFCVYIFNCXOK-UHFFFAOYSA-N
XLogP1.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluoro-2-methoxyphenyl)butan-1-amine
CID 117287200
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
2-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107700182
2-[5-fluoro-2-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102990405
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine
CID 83881713
2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60904969
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
6-(2-aminoethyl)-2-fluoro-3-methoxyphenol
CID 84769662

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methoxyphenyl)ethanamine?
The IUPAC name of 2-(4-fluoro-2-methoxyphenyl)ethanamine (CID 55254856) is 2-(4-fluoro-2-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-2-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-fluoro-2-methoxyphenyl)ethanamine is COc1cc(F)ccc1CCN.
What is the InChIKey of 2-(4-fluoro-2-methoxyphenyl)ethanamine?
The InChIKey is OEGFCVYIFNCXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-12-9-6-8(10)3-2-7(9)4-5-11/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 2-(4-fluoro-2-methoxyphenyl)ethanamine?
2-(4-fluoro-2-methoxyphenyl)ethanamine has a molecular weight of 169.20 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 55254856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).