1-(4-fluoro-2-methylphenyl)propan-1-amine

C10H14FN — CID 62790852

IUPAC1-(4-fluoro-2-methylphenyl)propan-1-amine
SMILESCCC(N)c1ccc(F)cc1C
InChIInChI=1S/C10H14FN/c1-3-10(12)9-5-4-8(11)6-7(9)2/h4-6,10H,3,12H2,1-2H3
InChIKeyNUROPEITPIZKEL-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.54
Rot. Bonds2

About 1-(4-fluoro-2-methylphenyl)propan-1-amine

1-(4-fluoro-2-methylphenyl)propan-1-amine (PubChem CID 62790852) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)propan-1-amine
PubChem CID62790852
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name1-(4-fluoro-2-methylphenyl)propan-1-amine
SMILESCCC(N)c1ccc(F)cc1C
InChIInChI=1S/C10H14FN/c1-3-10(12)9-5-4-8(11)6-7(9)2/h4-6,10H,3,12H2,1-2H3
InChIKeyNUROPEITPIZKEL-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-fluoro-2-methylphenyl)butan-1-amine;hydrochloride
CID 171221352
1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 138110336
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 62791857
(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 55264636
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
1-(4-fluoro-2-iodophenyl)propan-1-amine
CID 103846012
(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine
CID 130631832
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
(1R)-1-(4-fluoro-2-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171201812
(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride
CID 162344714
1-(4-fluoro-2-methylphenyl)-2-phenylethanamine
CID 62790331

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)propan-1-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)propan-1-amine (CID 62790852) is 1-(4-fluoro-2-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)propan-1-amine is CCC(N)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)propan-1-amine?
The InChIKey is NUROPEITPIZKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-3-10(12)9-5-4-8(11)6-7(9)2/h4-6,10H,3,12H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)propan-1-amine?
1-(4-fluoro-2-methylphenyl)propan-1-amine has a molecular weight of 167.23 g/mol, XLogP of 2.54, 2 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)propan-1-amine is sourced from PubChem (CID 62790852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).