2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine

C15H20F3N — CID 62603934

IUPAC2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
SMILESCNC(CC1CCCCC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H20F3N/c1-19-14(7-10-5-3-2-4-6-10)11-8-12(16)15(18)13(17)9-11/h8-10,14,19H,2-7H2,1H3
InChIKeyUTHNSMYCVXPZMN-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.33
Rot. Bonds4

About 2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine

2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine (PubChem CID 62603934) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
PubChem CID62603934
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
SMILESCNC(CC1CCCCC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H20F3N/c1-19-14(7-10-5-3-2-4-6-10)11-8-12(16)15(18)13(17)9-11/h8-10,14,19H,2-7H2,1H3
InChIKeyUTHNSMYCVXPZMN-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-cyclopentyl-1-(3,4,5-trifluorophenyl)ethyl]propan-1-amine
CID 63417117
2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 62601380
2-cyclopentyl-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503517
2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 115789919
1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine
CID 114906443
2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine
CID 114457545
2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 114457518
2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115847143
[2-cycloheptyl-1-(3,5-difluorophenyl)ethyl]hydrazine
CID 105301798
2-cyclopentyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 104991619
1-(4-chloro-3-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 107992592
2-cycloheptyl-1-(3-ethylphenyl)-N-methylethanamine
CID 105018546

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine?
The IUPAC name of 2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine (CID 62603934) is 2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine is CNC(CC1CCCCC1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine?
The InChIKey is UTHNSMYCVXPZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-19-14(7-10-5-3-2-4-6-10)11-8-12(16)15(18)13(17)9-11/h8-10,14,19H,2-7H2,1H3.
What are the key properties of 2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine?
2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine has a molecular weight of 271.33 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 62603934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).