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

C16H23F2N — CID 65414607

IUPACN-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)C1CCC(C)C1
InChIInChI=1S/C16H23F2N/c1-3-8-19-16(12-5-4-11(2)9-12)13-6-7-14(17)15(18)10-13/h6-7,10-12,16,19H,3-5,8-9H2,1-2H3
InChIKeyYAWKZQHDYZMWLG-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.44
Rot. Bonds5

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

N-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 65414607) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
PubChem CID65414607
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC NameN-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)C1CCC(C)C1
InChIInChI=1S/C16H23F2N/c1-3-8-19-16(12-5-4-11(2)9-12)13-6-7-14(17)15(18)10-13/h6-7,10-12,16,19H,3-5,8-9H2,1-2H3
InChIKeyYAWKZQHDYZMWLG-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 63415343
N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65413801
N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65412981
N-[(4-fluoro-2-methylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415409
N-[(3,4-dimethylcyclohexyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 104989448
N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 105027607
N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 62213882
N-[(3-methylcyclopentyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65413186
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 104988004
N-[(3-iodophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104991968
N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65414596
N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
CID 60818901

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine (CID 65414607) is N-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine is CCCNC(c1ccc(F)c(F)c1)C1CCC(C)C1.
What is the InChIKey of N-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is YAWKZQHDYZMWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-3-8-19-16(12-5-4-11(2)9-12)13-6-7-14(17)15(18)10-13/h6-7,10-12,16,19H,3-5,8-9H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine?
N-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 65414607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).