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

C16H23F2N — CID 79681920

IUPACN-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccc(F)cc2F)CCCC1C
InChIInChI=1S/C16H23F2N/c1-3-9-19-11-16(8-4-5-12(16)2)14-7-6-13(17)10-15(14)18/h6-7,10,12,19H,3-5,8-9,11H2,1-2H3
InChIKeyZRVJVYAPYVHYPB-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.02
Rot. Bonds5

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

N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine (PubChem CID 79681920) 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-1-amine.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
PubChem CID79681920
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccc(F)cc2F)CCCC1C
InChIInChI=1S/C16H23F2N/c1-3-9-19-11-16(8-4-5-12(16)2)14-7-6-13(17)10-15(14)18/h6-7,10,12,19H,3-5,8-9,11H2,1-2H3
InChIKeyZRVJVYAPYVHYPB-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79679545
N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-2-amine
CID 79682025
N-[[1-(2-chloro-4-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66425142
N-[[1-(2,4-difluorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
CID 66426140
N-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79679265
N-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66432799
N-[[1-(cyclohexen-1-yl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 116662255
N-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66429947
N-[[1-(3,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine
CID 113404857
1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine
CID 62802200
N-[[1-(2,4-difluorophenyl)cyclobutyl]methyl]propan-2-amine
CID 64560260
N-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66424938

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine (CID 79681920) is N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine is CCCNCC1(c2ccc(F)cc2F)CCCC1C.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine?
The InChIKey is ZRVJVYAPYVHYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-3-9-19-11-16(8-4-5-12(16)2)14-7-6-13(17)10-15(14)18/h6-7,10,12,19H,3-5,8-9,11H2,1-2H3.
What are the key properties of N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine?
N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 4.02, 5 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-1-amine is sourced from PubChem (CID 79681920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).