1-(4-fluoro-2,5-dimethylphenyl)propan-1-amine

C11H16FN — CID 131007811

IUPAC1-(4-fluoro-2,5-dimethylphenyl)propan-1-amine
SMILESCCC(N)c1cc(C)c(F)cc1C
InChIInChI=1S/C11H16FN/c1-4-11(13)9-5-8(3)10(12)6-7(9)2/h5-6,11H,4,13H2,1-3H3
InChIKeyOPBGXVZKFNCXMC-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.85
Rot. Bonds2

About 1-(4-fluoro-2,5-dimethylphenyl)propan-1-amine

1-(4-fluoro-2,5-dimethylphenyl)propan-1-amine (PubChem CID 131007811) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 1-(4-fluoro-2,5-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2,5-dimethylphenyl)propan-1-amine
PubChem CID131007811
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name1-(4-fluoro-2,5-dimethylphenyl)propan-1-amine
SMILESCCC(N)c1cc(C)c(F)cc1C
InChIInChI=1S/C11H16FN/c1-4-11(13)9-5-8(3)10(12)6-7(9)2/h5-6,11H,4,13H2,1-3H3
InChIKeyOPBGXVZKFNCXMC-UHFFFAOYSA-N
XLogP2.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol
CID 131151166
(1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine
CID 82758328
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 138110336
1-(2-fluorophenyl)propan-1-amine
CID 18439474
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
2-amino-2-(2-fluoro-4,5-dimethylphenyl)ethanol
CID 84769051
1-(2,4-difluoro-5-methylphenyl)decan-1-amine
CID 79723933
1-(2,5-difluoro-4-methylphenyl)heptan-1-amine
CID 114752602
(1S)-1-(2-amino-4-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 130739605
(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171211834
1-(2,4-difluoro-5-methylphenyl)-3-methylbutan-1-amine
CID 79724390

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,5-dimethylphenyl)propan-1-amine?
The IUPAC name of 1-(4-fluoro-2,5-dimethylphenyl)propan-1-amine (CID 131007811) is 1-(4-fluoro-2,5-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2,5-dimethylphenyl)propan-1-amine?
The canonical SMILES for 1-(4-fluoro-2,5-dimethylphenyl)propan-1-amine is CCC(N)c1cc(C)c(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2,5-dimethylphenyl)propan-1-amine?
The InChIKey is OPBGXVZKFNCXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-4-11(13)9-5-8(3)10(12)6-7(9)2/h5-6,11H,4,13H2,1-3H3.
What are the key properties of 1-(4-fluoro-2,5-dimethylphenyl)propan-1-amine?
1-(4-fluoro-2,5-dimethylphenyl)propan-1-amine has a molecular weight of 181.25 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,5-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 131007811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).