N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine

C17H25ClFN — CID 103039853

IUPACN-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C17H25ClFN/c1-2-10-20-17(14-6-4-3-5-7-14)12-13-8-9-16(19)15(18)11-13/h8-9,11,14,17,20H,2-7,10,12H2,1H3
InChIKeyVCVKLMPBQMTDGY-UHFFFAOYSA-N
MW297.84 g/mol
LogP4.97
Rot. Bonds6

About N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine

N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine (PubChem CID 103039853) has the molecular formula C17H25ClFN and a molecular weight of 297.84 g/mol. Its IUPAC name is N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine
PubChem CID103039853
Molecular FormulaC17H25ClFN
Molecular Weight297.84 g/mol
Exact Mass297.17
IUPAC NameN-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C17H25ClFN/c1-2-10-20-17(14-6-4-3-5-7-14)12-13-8-9-16(19)15(18)11-13/h8-9,11,14,17,20H,2-7,10,12H2,1H3
InChIKeyVCVKLMPBQMTDGY-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.84
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 103039852
N-[2-(3-chloro-4-fluorophenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 103040343
1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 103043171
N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine
CID 65399267
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
CID 103040129
N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine
CID 65018486
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 103040140
N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62906214
N-[2-(3-bromo-4-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415531
1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine
CID 103040443
N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine
CID 55020965
N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine
CID 63413486

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine?
The IUPAC name of N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine (CID 103039853) is N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine is CCCNC(Cc1ccc(F)c(Cl)c1)C1CCCCC1.
What is the InChIKey of N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine?
The InChIKey is VCVKLMPBQMTDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-2-10-20-17(14-6-4-3-5-7-14)12-13-8-9-16(19)15(18)11-13/h8-9,11,14,17,20H,2-7,10,12H2,1H3.
What are the key properties of N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine?
N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine has a molecular weight of 297.84 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine is sourced from PubChem (CID 103039853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).