1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine

C16H24FN — CID 105377006

IUPAC1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
SMILESCc1ccc(F)cc1CC(N)CC1CCCCC1
InChIInChI=1S/C16H24FN/c1-12-7-8-15(17)10-14(12)11-16(18)9-13-5-3-2-4-6-13/h7-8,10,13,16H,2-6,9,11,18H2,1H3
InChIKeyJJOCXZLFEAIFFY-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.97
Rot. Bonds4

About 1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine

1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine (PubChem CID 105377006) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
PubChem CID105377006
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
SMILESCc1ccc(F)cc1CC(N)CC1CCCCC1
InChIInChI=1S/C16H24FN/c1-12-7-8-15(17)10-14(12)11-16(18)9-13-5-3-2-4-6-13/h7-8,10,13,16H,2-6,9,11,18H2,1H3
InChIKeyJJOCXZLFEAIFFY-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine
CID 102622536
1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373996
1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine
CID 115843237
3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377154
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 105374002
1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374209
2-(2-cyclohexylethyl)-4-fluoro-1-methylbenzene;2-(2-cyclopentylethyl)-4-fluoro-1-methylbenzene;ethene
CID 145488932
2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine
CID 105377396
1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373859
1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 115829164
1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine
CID 114347642

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine?
The IUPAC name of 1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine (CID 105377006) is 1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine is Cc1ccc(F)cc1CC(N)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine?
The InChIKey is JJOCXZLFEAIFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-12-7-8-15(17)10-14(12)11-16(18)9-13-5-3-2-4-6-13/h7-8,10,13,16H,2-6,9,11,18H2,1H3.
What are the key properties of 1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine?
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine has a molecular weight of 249.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-amine is sourced from PubChem (CID 105377006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).