N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine

C15H22FN — CID 79704680

IUPACN-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(F)c1)C1CCCC1
InChIInChI=1S/C15H22FN/c1-3-17-15(12-6-4-5-7-12)13-8-11(2)9-14(16)10-13/h8-10,12,15,17H,3-7H2,1-2H3
InChIKeySGYMQKNZBTYALA-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.97
Rot. Bonds4

About N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine

N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine (PubChem CID 79704680) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
PubChem CID79704680
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(F)c1)C1CCCC1
InChIInChI=1S/C15H22FN/c1-3-17-15(12-6-4-5-7-12)13-8-11(2)9-14(16)10-13/h8-10,12,15,17H,3-7H2,1-2H3
InChIKeySGYMQKNZBTYALA-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-5-methylphenyl)-cyclohexylmethyl]ethanamine
CID 114980853
N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 65299109
[cycloheptyl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105232121
1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79705578
N-[cyclopentyl-(3-methylphenyl)methyl]ethanamine
CID 60818890
N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 43490426
2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine
CID 105016424
N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
CID 65399254
N-[(4-bromo-3,5-dimethylphenyl)-cycloheptylmethyl]ethanamine
CID 114330720
N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65414596
N-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 66425051
N-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 115998273

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine (CID 79704680) is N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine is CCNC(c1cc(C)cc(F)c1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine?
The InChIKey is SGYMQKNZBTYALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-3-17-15(12-6-4-5-7-12)13-8-11(2)9-14(16)10-13/h8-10,12,15,17H,3-7H2,1-2H3.
What are the key properties of N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine?
N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine has a molecular weight of 235.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 79704680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).