1-(4-fluoro-2-methylphenyl)ethanamine

C9H12FN — CID 62791014

IUPAC1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1C(C)N
InChIInChI=1S/C9H12FN/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5,7H,11H2,1-2H3
InChIKeyPQULUYWADYJNDJ-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.15
Rot. Bonds1

About 1-(4-fluoro-2-methylphenyl)ethanamine

1-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 62791014) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID62791014
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1C(C)N
InChIInChI=1S/C9H12FN/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5,7H,11H2,1-2H3
InChIKeyPQULUYWADYJNDJ-UHFFFAOYSA-N
XLogP2.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-fluoro-2-methylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 62791857
4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene
CID 145153744
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine
CID 56971906
(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 55264636
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
4-[(1R)-1-aminoethyl]-3-methylaniline
CID 55273899
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)ethanamine (CID 62791014) is 1-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1C(C)N.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is PQULUYWADYJNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5,7H,11H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)ethanamine?
1-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 153.20 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 62791014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).