2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine

C17H25ClFN — CID 107892144

IUPAC2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)c(F)c1)C1CCCCC1(C)C
InChIInChI=1S/C17H25ClFN/c1-17(2)9-5-4-6-13(17)16(20-3)11-12-7-8-14(18)15(19)10-12/h7-8,10,13,16,20H,4-6,9,11H2,1-3H3
InChIKeyGPNRXDSBIFXJQW-UHFFFAOYSA-N
MW297.85 g/mol
LogP4.83
Rot. Bonds4

About 2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine

2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine (PubChem CID 107892144) has the molecular formula C17H25ClFN and a molecular weight of 297.85 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
PubChem CID107892144
Molecular FormulaC17H25ClFN
Molecular Weight297.85 g/mol
Exact Mass297.17
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)c(F)c1)C1CCCCC1(C)C
InChIInChI=1S/C17H25ClFN/c1-17(2)9-5-4-6-13(17)16(20-3)11-12-7-8-14(18)15(19)10-12/h7-8,10,13,16,20H,4-6,9,11H2,1-3H3
InChIKeyGPNRXDSBIFXJQW-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107188023
[2-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethyl]hydrazine
CID 107195040
1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107188347
1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 107179500
2-(4-bromo-2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107190878
[2-(4-chloro-3-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 107895103
2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine
CID 107891760
[2-(3-chlorophenyl)-1-(2,2-dimethylcyclohexyl)ethyl]hydrazine
CID 107193281
1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
CID 107891920
2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188374
N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861962
1-(2,4-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177661

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine (CID 107892144) is 2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine is CNC(Cc1ccc(Cl)c(F)c1)C1CCCCC1(C)C.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine?
The InChIKey is GPNRXDSBIFXJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-17(2)9-5-4-6-13(17)16(20-3)11-12-7-8-14(18)15(19)10-12/h7-8,10,13,16,20H,4-6,9,11H2,1-3H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine?
2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine has a molecular weight of 297.85 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 107892144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).