N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine

C16H24FN — CID 55187563

IUPACN-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1C)C1CCCC1
InChIInChI=1S/C16H24FN/c1-3-10-18-16(13-6-4-5-7-13)15-11-14(17)9-8-12(15)2/h8-9,11,13,16,18H,3-7,10H2,1-2H3
InChIKeyGSRJIWKOFMRURH-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.37
Rot. Bonds5

About N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine

N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine (PubChem CID 55187563) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
PubChem CID55187563
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1C)C1CCCC1
InChIInChI=1S/C16H24FN/c1-3-10-18-16(13-6-4-5-7-13)15-11-14(17)9-8-12(15)2/h8-9,11,13,16,18H,3-7,10H2,1-2H3
InChIKeyGSRJIWKOFMRURH-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
CID 65018553
N-[(5-fluoro-2-methylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 65333512
N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496319
N-[(3,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 64740441
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 65018552
N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 55187562
N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine
CID 81045069
N-[(2-chloro-5-fluorophenyl)-(4,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 105395058
N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine
CID 106878892
N-[(4-fluoro-2-methylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415409
N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495555

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine (CID 55187563) is N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine is CCCNC(c1cc(F)ccc1C)C1CCCC1.
What is the InChIKey of N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine?
The InChIKey is GSRJIWKOFMRURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-3-10-18-16(13-6-4-5-7-13)15-11-14(17)9-8-12(15)2/h8-9,11,13,16,18H,3-7,10H2,1-2H3.
What are the key properties of N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine?
N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 55187563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).