1-(2-fluoro-5-methylphenyl)-3,5-dimethylhexan-1-amine

C15H24FN — CID 114201084

IUPAC1-(2-fluoro-5-methylphenyl)-3,5-dimethylhexan-1-amine
SMILESCc1ccc(F)c(C(N)CC(C)CC(C)C)c1
InChIInChI=1S/C15H24FN/c1-10(2)7-12(4)9-15(17)13-8-11(3)5-6-14(13)16/h5-6,8,10,12,15H,7,9,17H2,1-4H3
InChIKeyHHZSKLGXRHBPIS-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.21
Rot. Bonds5

About 1-(2-fluoro-5-methylphenyl)-3,5-dimethylhexan-1-amine

1-(2-fluoro-5-methylphenyl)-3,5-dimethylhexan-1-amine (PubChem CID 114201084) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-3,5-dimethylhexan-1-amine
PubChem CID114201084
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name1-(2-fluoro-5-methylphenyl)-3,5-dimethylhexan-1-amine
SMILESCc1ccc(F)c(C(N)CC(C)CC(C)C)c1
InChIInChI=1S/C15H24FN/c1-10(2)7-12(4)9-15(17)13-8-11(3)5-6-14(13)16/h5-6,8,10,12,15H,7,9,17H2,1-4H3
InChIKeyHHZSKLGXRHBPIS-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
1-(2-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 62789444
1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine
CID 83988506
(1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine
CID 171204011
3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 62790891
1-(2,4-difluoro-5-methylphenyl)-3-methylbutan-1-amine
CID 79724390
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride
CID 171204045
1-(5-chloro-2-fluorophenyl)-3-methylbutane-1,4-diamine
CID 116934210
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propanenitrile
CID 55275953
2-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 55297664
2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 66143398

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3,5-dimethylhexan-1-amine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3,5-dimethylhexan-1-amine (CID 114201084) is 1-(2-fluoro-5-methylphenyl)-3,5-dimethylhexan-1-amine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3,5-dimethylhexan-1-amine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3,5-dimethylhexan-1-amine is Cc1ccc(F)c(C(N)CC(C)CC(C)C)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3,5-dimethylhexan-1-amine?
The InChIKey is HHZSKLGXRHBPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-10(2)7-12(4)9-15(17)13-8-11(3)5-6-14(13)16/h5-6,8,10,12,15H,7,9,17H2,1-4H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-3,5-dimethylhexan-1-amine?
1-(2-fluoro-5-methylphenyl)-3,5-dimethylhexan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-3,5-dimethylhexan-1-amine is sourced from PubChem (CID 114201084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).