2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine

C15H21ClFN — CID 103039934

IUPAC2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
SMILESCC1CCCC(C(N)Cc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C15H21ClFN/c1-10-3-2-4-12(7-10)15(18)9-11-5-6-14(17)13(16)8-11/h5-6,8,10,12,15H,2-4,7,9,18H2,1H3
InChIKeyKVAIQNHUSQVWMS-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.18
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine

2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine (PubChem CID 103039934) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
PubChem CID103039934
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
SMILESCC1CCCC(C(N)Cc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C15H21ClFN/c1-10-3-2-4-12(7-10)15(18)9-11-5-6-14(17)13(16)8-11/h5-6,8,10,12,15H,2-4,7,9,18H2,1H3
InChIKeyKVAIQNHUSQVWMS-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 65321480
2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine
CID 55188328
2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 65477706
2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 107883617
2-(3,4-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine
CID 64729510
2-(3-chloro-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 103043101
2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine
CID 114012687
2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 82920862
2-(4-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65414568
2-(3,4-dichlorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
CID 64739450
1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine
CID 103042970
3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine
CID 103040498

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine (CID 103039934) is 2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine is CC1CCCC(C(N)Cc2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine?
The InChIKey is KVAIQNHUSQVWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-10-3-2-4-12(7-10)15(18)9-11-5-6-14(17)13(16)8-11/h5-6,8,10,12,15H,2-4,7,9,18H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine?
2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine has a molecular weight of 269.79 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 103039934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).