N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine

C18H28FN — CID 65296826

IUPACN-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C18H28FN/c1-4-9-20-17(12-15-7-5-6-8-15)16-10-13(2)18(19)14(3)11-16/h10-11,15,17,20H,4-9,12H2,1-3H3
InChIKeyTYQLSLVKXSQXQU-UHFFFAOYSA-N
MW277.43 g/mol
LogP5.06
Rot. Bonds6

About N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine

N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine (PubChem CID 65296826) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine
PubChem CID65296826
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C18H28FN/c1-4-9-20-17(12-15-7-5-6-8-15)16-10-13(2)18(19)14(3)11-16/h10-11,15,17,20H,4-9,12H2,1-3H3
InChIKeyTYQLSLVKXSQXQU-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-cyclopentyl-1-(3,4,5-trifluorophenyl)ethyl]propan-1-amine
CID 63417117
N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 43493979
N-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine
CID 115847441
N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115847405
N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115804158
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
CID 103168829
N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine
CID 115847145
N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 107993397
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299332
N-[1-(3,4-dimethylphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 115846940

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine (CID 65296826) is N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine is CCCNC(CC1CCCC1)c1cc(C)c(F)c(C)c1.
What is the InChIKey of N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine?
The InChIKey is TYQLSLVKXSQXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-4-9-20-17(12-15-7-5-6-8-15)16-10-13(2)18(19)14(3)11-16/h10-11,15,17,20H,4-9,12H2,1-3H3.
What are the key properties of N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine?
N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 65296826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).