N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine

C15H20F3N — CID 107178293

IUPACN-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)c(F)cc1F)C1CCCC1C
InChIInChI=1S/C15H20F3N/c1-3-19-15(10-6-4-5-9(10)2)11-7-13(17)14(18)8-12(11)16/h7-10,15,19H,3-6H2,1-2H3
InChIKeyHKKDOJLEKHPSMR-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.19
Rot. Bonds4

About N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine

N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine (PubChem CID 107178293) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
PubChem CID107178293
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)c(F)cc1F)C1CCCC1C
InChIInChI=1S/C15H20F3N/c1-3-19-15(10-6-4-5-9(10)2)11-7-13(17)14(18)8-12(11)16/h7-10,15,19H,3-6H2,1-2H3
InChIKeyHKKDOJLEKHPSMR-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 107178295
N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177529
N-[(3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107187849
N-[(4,5-dimethoxy-2-methylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107177620
N-[(2-methylcyclopentyl)-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 107177395
N-[(2-methylcyclopentyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 107177517
N-[(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107189939
N-[(3-bromo-2,6-difluorophenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191861
N-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107178004
N-[(2-fluoro-5-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65421716
N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine
CID 107188092
2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302742

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine (CID 107178293) is N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine is CCNC(c1cc(F)c(F)cc1F)C1CCCC1C.
What is the InChIKey of N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine?
The InChIKey is HKKDOJLEKHPSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-3-19-15(10-6-4-5-9(10)2)11-7-13(17)14(18)8-12(11)16/h7-10,15,19H,3-6H2,1-2H3.
What are the key properties of N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine?
N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine has a molecular weight of 271.33 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 107178293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).