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

C16H24FN — CID 65412981

IUPACN-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)C1CCC(C)C1
InChIInChI=1S/C16H24FN/c1-3-10-18-16(14-5-4-12(2)11-14)13-6-8-15(17)9-7-13/h6-9,12,14,16,18H,3-5,10-11H2,1-2H3
InChIKeyXRDLJJUTBFMPLF-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.30
Rot. Bonds5

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

N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 65412981) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
PubChem CID65412981
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)C1CCC(C)C1
InChIInChI=1S/C16H24FN/c1-3-10-18-16(14-5-4-12(2)11-14)13-6-8-15(17)9-7-13/h6-9,12,14,16,18H,3-5,10-11H2,1-2H3
InChIKeyXRDLJJUTBFMPLF-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65414607
N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 55187004
N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65413801
N-[(4-fluoro-2-methylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415409
N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 63415343
N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 64740428
N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 63415910
N-[(3,5-dimethylcyclohexyl)-(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 104988770
N-[(3-methylcyclopentyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65413186
N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65414596
N-[(3,4-dimethylcyclohexyl)-(4-iodophenyl)methyl]propan-1-amine
CID 104989552
2-cyclopropyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 83155270

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine (CID 65412981) is N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1)C1CCC(C)C1.
What is the InChIKey of N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is XRDLJJUTBFMPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-3-10-18-16(14-5-4-12(2)11-14)13-6-8-15(17)9-7-13/h6-9,12,14,16,18H,3-5,10-11H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine?
N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 65412981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).