N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine

C17H25F2N — CID 65414201

IUPACN-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1F)C1CCC(C)C1
InChIInChI=1S/C17H25F2N/c1-3-8-20-17(14-5-4-12(2)9-14)10-13-6-7-15(18)11-16(13)19/h6-7,11-12,14,17,20H,3-5,8-10H2,1-2H3
InChIKeyFNJIHPFTGRJIGH-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.31
Rot. Bonds6

About N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine

N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine (PubChem CID 65414201) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine
PubChem CID65414201
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC NameN-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1F)C1CCC(C)C1
InChIInChI=1S/C17H25F2N/c1-3-8-20-17(14-5-4-12(2)9-14)10-13-6-7-15(18)11-16(13)19/h6-7,11-12,14,17,20H,3-5,8-10H2,1-2H3
InChIKeyFNJIHPFTGRJIGH-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,4-difluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415659
N-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine
CID 63415854
N-[2-(4-fluoro-2-methylphenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114347799
N-[2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114855459
N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine
CID 55095503
N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115824180
2-(2,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylethanamine
CID 64740451
1-cyclopropyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 62196245
N-[(4-fluoro-2-methylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415409
N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine
CID 65399267
N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65415597
[2-(2-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233141

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine (CID 65414201) is N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1F)C1CCC(C)C1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine?
The InChIKey is FNJIHPFTGRJIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-3-8-20-17(14-5-4-12(2)9-14)10-13-6-7-15(18)11-16(13)19/h6-7,11-12,14,17,20H,3-5,8-10H2,1-2H3.
What are the key properties of N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine?
N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine has a molecular weight of 281.39 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine is sourced from PubChem (CID 65414201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).