N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine

C15H21F2N — CID 65414596

IUPACN-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)C1CCC(C)C1
InChIInChI=1S/C15H21F2N/c1-3-18-15(11-5-4-10(2)6-11)12-7-13(16)9-14(17)8-12/h7-11,15,18H,3-6H2,1-2H3
InChIKeyMDJZRWAEKLUVCM-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.05
Rot. Bonds4

About N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine

N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine (PubChem CID 65414596) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine
PubChem CID65414596
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC NameN-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)C1CCC(C)C1
InChIInChI=1S/C15H21F2N/c1-3-18-15(11-5-4-10(2)6-11)12-7-13(16)9-14(17)8-12/h7-11,15,18H,3-6H2,1-2H3
InChIKeyMDJZRWAEKLUVCM-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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
N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 55187004
N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65412981
N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine
CID 116544556
N-[(3-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65412962
N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704680
N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415800
N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415595
N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 82822142
N-[(3,4-difluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65414607
N-[(3-methylcyclopentyl)-quinolin-7-ylmethyl]ethanamine
CID 81231066

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine (CID 65414596) is N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine is CCNC(c1cc(F)cc(F)c1)C1CCC(C)C1.
What is the InChIKey of N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine?
The InChIKey is MDJZRWAEKLUVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-3-18-15(11-5-4-10(2)6-11)12-7-13(16)9-14(17)8-12/h7-11,15,18H,3-6H2,1-2H3.
What are the key properties of N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine?
N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine has a molecular weight of 253.34 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)-(3-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 65414596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).