2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine

C18H28FN — CID 65305933

IUPAC2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine
SMILESCc1cc(CCC2(CCN)CCCCC2)cc(C)c1F
InChIInChI=1S/C18H28FN/c1-14-12-16(13-15(2)17(14)19)6-9-18(10-11-20)7-4-3-5-8-18/h12-13H,3-11,20H2,1-2H3
InChIKeyNHKHINFLZDRSHA-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.67
Rot. Bonds5

About 2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine

2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine (PubChem CID 65305933) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine
PubChem CID65305933
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine
SMILESCc1cc(CCC2(CCN)CCCCC2)cc(C)c1F
InChIInChI=1S/C18H28FN/c1-14-12-16(13-15(2)17(14)19)6-9-18(10-11-20)7-4-3-5-8-18/h12-13H,3-11,20H2,1-2H3
InChIKeyNHKHINFLZDRSHA-UHFFFAOYSA-N
XLogP4.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[2-(2,4,6-trimethylphenyl)ethyl]cyclopentyl]ethanamine
CID 65300447
2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine
CID 65305595
[1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine
CID 90212397
2-[1-[2-(5-chloro-4-methylthiophen-2-yl)ethyl]cyclopentyl]ethanamine
CID 102765261
2-[1-[2-(3-bromo-4-ethoxyphenyl)ethyl]cyclopentyl]ethanamine
CID 104662944
2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine
CID 65303462
2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform
CID 175025312
2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine
CID 65303868
1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine
CID 105483075
2-methyl-4-[2-(1-nonylcyclohexyl)ethyl]-1-pentylbenzene
CID 57180466
2-[1-(2-iodoethyl)cyclohexyl]ethanamine
CID 90084213
1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine
CID 117286906

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine?
The IUPAC name of 2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine (CID 65305933) is 2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine.
What is the SMILES notation for 2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine?
The canonical SMILES for 2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine is Cc1cc(CCC2(CCN)CCCCC2)cc(C)c1F.
What is the InChIKey of 2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine?
The InChIKey is NHKHINFLZDRSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-14-12-16(13-15(2)17(14)19)6-9-18(10-11-20)7-4-3-5-8-18/h12-13H,3-11,20H2,1-2H3.
What are the key properties of 2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine?
2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine has a molecular weight of 277.43 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine is sourced from PubChem (CID 65305933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).