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

C16H23F2N — CID 79682025

IUPACN-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccc(F)cc2F)CCCC1C
InChIInChI=1S/C16H23F2N/c1-11(2)19-10-16(8-4-5-12(16)3)14-7-6-13(17)9-15(14)18/h6-7,9,11-12,19H,4-5,8,10H2,1-3H3
InChIKeyQUFPIUKYRXYJGX-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.02
Rot. Bonds4

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

N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-2-amine (PubChem CID 79682025) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-2-amine
PubChem CID79682025
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccc(F)cc2F)CCCC1C
InChIInChI=1S/C16H23F2N/c1-11(2)19-10-16(8-4-5-12(16)3)14-7-6-13(17)9-15(14)18/h6-7,9,11-12,19H,4-5,8,10H2,1-3H3
InChIKeyQUFPIUKYRXYJGX-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79681920
N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 64560260
N-[[1-(2,4-difluorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
CID 66426140
N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine
CID 64999494
N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine
CID 79679445
1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine
CID 62802200
N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79679545
N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclobutyl]methyl]propan-2-amine
CID 66432596
N-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine
CID 66431979
N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 62725796
N-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 66423351
N-[[1-(2-chloro-4-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66425142

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-2-amine (CID 79682025) is N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-2-amine is CC(C)NCC1(c2ccc(F)cc2F)CCCC1C.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-2-amine?
The InChIKey is QUFPIUKYRXYJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-11(2)19-10-16(8-4-5-12(16)3)14-7-6-13(17)9-15(14)18/h6-7,9,11-12,19H,4-5,8,10H2,1-3H3.
What are the key properties of N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-2-amine?
N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-2-amine has a molecular weight of 267.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 79682025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).