[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine

C14H19ClFNO — CID 117432368

IUPAC[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
SMILESCOc1cc(F)c(Cl)cc1C1(CN)CCCCC1
InChIInChI=1S/C14H19ClFNO/c1-18-13-8-12(16)11(15)7-10(13)14(9-17)5-3-2-4-6-14/h7-8H,2-6,9,17H2,1H3
InChIKeyZTYGKUJMLHNYEP-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.65
Rot. Bonds3

About [1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine

[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine (PubChem CID 117432368) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is [1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
PubChem CID117432368
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
SMILESCOc1cc(F)c(Cl)cc1C1(CN)CCCCC1
InChIInChI=1S/C14H19ClFNO/c1-18-13-8-12(16)11(15)7-10(13)14(9-17)5-3-2-4-6-14/h7-8H,2-6,9,17H2,1H3
InChIKeyZTYGKUJMLHNYEP-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

Analyze [1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382102
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
[1-(4-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320233
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
[1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine
CID 117356576
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887
[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine
CID 117452765
[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117397977
[1-(2-fluoro-5-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382086
[1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117441379
[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117476236
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117432370

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine (CID 117432368) is [1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine is COc1cc(F)c(Cl)cc1C1(CN)CCCCC1.
What is the InChIKey of [1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine?
The InChIKey is ZTYGKUJMLHNYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-18-13-8-12(16)11(15)7-10(13)14(9-17)5-3-2-4-6-14/h7-8H,2-6,9,17H2,1H3.
What are the key properties of [1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine?
[1-(5-chloro-4-fluoro-2-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-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117432368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).