1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine

C13H17F2N — CID 62802200

IUPAC1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1(N)c1ccc(F)cc1F
InChIInChI=1S/C13H17F2N/c1-9-4-2-3-7-13(9,16)11-6-5-10(14)8-12(11)15/h5-6,8-9H,2-4,7,16H2,1H3
InChIKeyFUWYFYBUSFVPPL-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.33
Rot. Bonds1

About 1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine

1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine (PubChem CID 62802200) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine
PubChem CID62802200
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1(N)c1ccc(F)cc1F
InChIInChI=1S/C13H17F2N/c1-9-4-2-3-7-13(9,16)11-6-5-10(14)8-12(11)15/h5-6,8-9H,2-4,7,16H2,1H3
InChIKeyFUWYFYBUSFVPPL-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichlorophenyl)-2-methylcyclohexan-1-amine
CID 63408172
1-(4-fluorophenyl)-2-methylcyclopentan-1-amine
CID 79679805
1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 62802198
N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-2-amine
CID 79682025
1-(4-fluoro-2-methylphenyl)-2,4-dimethylcyclohexan-1-amine
CID 64776596
2-tert-butyl-1-(2,4-difluorophenyl)cyclohexan-1-ol
CID 63406868
1-(4-fluoro-2-methylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 64760982
N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79681920
1-(4-bromothiophen-3-yl)-2-methylcyclohexan-1-amine
CID 79596585
1-(2-methoxyphenyl)-2-methylcyclopentan-1-amine
CID 79680080
2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 62788683
1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine (CID 62802200) is 1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine is CC1CCCCC1(N)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine?
The InChIKey is FUWYFYBUSFVPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9-4-2-3-7-13(9,16)11-6-5-10(14)8-12(11)15/h5-6,8-9H,2-4,7,16H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine?
1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 62802200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).