[1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine

C15H21F2NO — CID 117426647

IUPAC[1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine
SMILESCOc1cc(C(F)F)ccc1C1(CN)CCCCC1
InChIInChI=1S/C15H21F2NO/c1-19-13-9-11(14(16)17)5-6-12(13)15(10-18)7-3-2-4-8-15/h5-6,9,14H,2-4,7-8,10,18H2,1H3
InChIKeyUNWBBZDIEYRBLS-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.79
Rot. Bonds4

About [1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine

[1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine (PubChem CID 117426647) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is [1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine
PubChem CID117426647
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name[1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine
SMILESCOc1cc(C(F)F)ccc1C1(CN)CCCCC1
InChIInChI=1S/C15H21F2NO/c1-19-13-9-11(14(16)17)5-6-12(13)15(10-18)7-3-2-4-8-15/h5-6,9,14H,2-4,7-8,10,18H2,1H3
InChIKeyUNWBBZDIEYRBLS-UHFFFAOYSA-N
XLogP3.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[4-(difluoromethyl)-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

2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol
CID 117391271
2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol
CID 117444900
[1-[2-(difluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
CID 117391291
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117444927
[1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine
CID 117408720
2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol
CID 117326698
[1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine
CID 117473584
[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117476236
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382102
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117432370

Frequently Asked Questions

What is the IUPAC name of [1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine?
The IUPAC name of [1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine (CID 117426647) is [1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine is COc1cc(C(F)F)ccc1C1(CN)CCCCC1.
What is the InChIKey of [1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine?
The InChIKey is UNWBBZDIEYRBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-19-13-9-11(14(16)17)5-6-12(13)15(10-18)7-3-2-4-8-15/h5-6,9,14H,2-4,7-8,10,18H2,1H3.
What are the key properties of [1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine?
[1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine has a molecular weight of 269.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine is sourced from PubChem (CID 117426647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).