4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol

C16H22F3NO — CID 65115940

IUPAC4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNCc2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C16H22F3NO/c1-2-11-3-5-16(21,6-4-11)10-20-9-12-7-13(17)15(19)14(18)8-12/h7-8,11,20-21H,2-6,9-10H2,1H3
InChIKeyQHIBKIOUYVSGJG-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.52
Rot. Bonds5

About 4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol

4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 65115940) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID65115940
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNCc2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C16H22F3NO/c1-2-11-3-5-16(21,6-4-11)10-20-9-12-7-13(17)15(19)14(18)8-12/h7-8,11,20-21H,2-6,9-10H2,1H3
InChIKeyQHIBKIOUYVSGJG-UHFFFAOYSA-N
XLogP3.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 65116509
1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 65116216
1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 63451508
1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol
CID 62772640
1-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 106263515
1-[[(5-bromo-3-pyridinyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 104796981
4-ethyl-1-(ethylaminomethyl)cyclohexan-1-ol
CID 62773711
2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
CID 115680075
1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 65115953
1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 79831783
1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 65116363
1-[[(2-chloro-4-methylphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 106862776

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol (CID 65115940) is 4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNCc2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of 4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is QHIBKIOUYVSGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-2-11-3-5-16(21,6-4-11)10-20-9-12-7-13(17)15(19)14(18)8-12/h7-8,11,20-21H,2-6,9-10H2,1H3.
What are the key properties of 4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 301.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65115940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).