N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine

C17H25F2N — CID 107187960

IUPACN-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1F)C1CCCC1C
InChIInChI=1S/C17H25F2N/c1-3-9-20-17(15-6-4-5-12(15)2)11-13-10-14(18)7-8-16(13)19/h7-8,10,12,15,17,20H,3-6,9,11H2,1-2H3
InChIKeyVCGFCNHXORGEDK-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.31
Rot. Bonds6

About N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine

N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine (PubChem CID 107187960) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
PubChem CID107187960
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC NameN-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1F)C1CCCC1C
InChIInChI=1S/C17H25F2N/c1-3-9-20-17(15-6-4-5-12(15)2)11-13-10-14(18)7-8-16(13)19/h7-8,10,12,15,17,20H,3-6,9,11H2,1-2H3
InChIKeyVCGFCNHXORGEDK-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-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107188252
[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]hydrazine
CID 107193433
N-[2-(2,5-difluorophenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80626944
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107191349
N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 65419774
N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177529
N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105377335
4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine
CID 115809797
N-[2-(2,3-dichlorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107312289
N-[2-(2,4-difluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415659
N-[(2-methylcyclopentyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 107177517
N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine
CID 65414201

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine (CID 107187960) is N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine is CCCNC(Cc1cc(F)ccc1F)C1CCCC1C.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine?
The InChIKey is VCGFCNHXORGEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-3-9-20-17(15-6-4-5-12(15)2)11-13-10-14(18)7-8-16(13)19/h7-8,10,12,15,17,20H,3-6,9,11H2,1-2H3.
What are the key properties of N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine?
N-[2-(2,5-difluorophenyl)-1-(2-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-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine is sourced from PubChem (CID 107187960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).