[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine

C16H24FNO — CID 117418082

IUPAC[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine
SMILESCCc1c(F)cc(C2(CN)CCCCC2)cc1OC
InChIInChI=1S/C16H24FNO/c1-3-13-14(17)9-12(10-15(13)19-2)16(11-18)7-5-4-6-8-16/h9-10H,3-8,11,18H2,1-2H3
InChIKeyKBNSLSHJSPKNTB-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.56
Rot. Bonds4

About [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine

[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine (PubChem CID 117418082) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine
PubChem CID117418082
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine
SMILESCCc1c(F)cc(C2(CN)CCCCC2)cc1OC
InChIInChI=1S/C16H24FNO/c1-3-13-14(17)9-12(10-15(13)19-2)16(11-18)7-5-4-6-8-16/h9-10H,3-8,11,18H2,1-2H3
InChIKeyKBNSLSHJSPKNTB-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine
CID 117347270
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
CID 117320148
1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117320267
[1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117391287
[1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298894
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
[1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine
CID 117351226
[1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine
CID 82499353
[1-(2,6-difluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459547
[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine
CID 117312997

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine (CID 117418082) is [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine is CCc1c(F)cc(C2(CN)CCCCC2)cc1OC.
What is the InChIKey of [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine?
The InChIKey is KBNSLSHJSPKNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-13-14(17)9-12(10-15(13)19-2)16(11-18)7-5-4-6-8-16/h9-10H,3-8,11,18H2,1-2H3.
What are the key properties of [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine?
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine has a molecular weight of 265.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117418082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).