1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine

C16H22F3N — CID 63451508

IUPAC1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
SMILESCCC1CCC(CNCc2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C16H22F3N/c1-2-11-3-5-12(6-4-11)9-20-10-13-7-14(17)16(19)15(18)8-13/h7-8,11-12,20H,2-6,9-10H2,1H3
InChIKeyRPHBFFOGMCCFEW-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.41
Rot. Bonds5

About 1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine

1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine (PubChem CID 63451508) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
PubChem CID63451508
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
SMILESCCC1CCC(CNCc2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C16H22F3N/c1-2-11-3-5-12(6-4-11)9-20-10-13-7-14(17)16(19)15(18)8-13/h7-8,11-12,20H,2-6,9-10H2,1H3
InChIKeyRPHBFFOGMCCFEW-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.41
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

4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 65115940
2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol
CID 79831125
1-(4-ethylcyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 63451562
N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide
CID 63482414
1-(oxan-3-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 55147927
1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine
CID 79892159
1-(4-ethylcyclohexyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62761015
1-(4-methylcyclohexyl)-N-[(2,3,5,6-tetrafluorophenyl)methyl]methanamine
CID 142228898
1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
CID 102876292
N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 63451744
N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 66472811
N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 106816651

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine?
The IUPAC name of 1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine (CID 63451508) is 1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine is CCC1CCC(CNCc2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine?
The InChIKey is RPHBFFOGMCCFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-2-11-3-5-12(6-4-11)9-20-10-13-7-14(17)16(19)15(18)8-13/h7-8,11-12,20H,2-6,9-10H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine?
1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine has a molecular weight of 285.35 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine is sourced from PubChem (CID 63451508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).