[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine

C14H19ClFNO — CID 117432370

IUPAC[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine
SMILESCOc1ccc(C2(CN)CCCCC2)c(F)c1Cl
InChIInChI=1S/C14H19ClFNO/c1-18-11-6-5-10(13(16)12(11)15)14(9-17)7-3-2-4-8-14/h5-6H,2-4,7-9,17H2,1H3
InChIKeyURLYWVQSHRLBMT-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.65
Rot. Bonds3

About [1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine

[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine (PubChem CID 117432370) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is [1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine
PubChem CID117432370
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine
SMILESCOc1ccc(C2(CN)CCCCC2)c(F)c1Cl
InChIInChI=1S/C14H19ClFNO/c1-18-11-6-5-10(13(16)12(11)15)14(9-17)7-3-2-4-8-14/h5-6H,2-4,7-9,17H2,1H3
InChIKeyURLYWVQSHRLBMT-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine
CID 117331513
[1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117426956
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117422005
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117397977
[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine
CID 117382107
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368
[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
CID 117441409
[1-(2-chloro-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117356566
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine (CID 117432370) is [1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine is COc1ccc(C2(CN)CCCCC2)c(F)c1Cl.
What is the InChIKey of [1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine?
The InChIKey is URLYWVQSHRLBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-18-11-6-5-10(13(16)12(11)15)14(9-17)7-3-2-4-8-14/h5-6H,2-4,7-9,17H2,1H3.
What are the key properties of [1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine?
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine has a molecular weight of 271.76 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117432370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).