(1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine

C15H20F3N — CID 81384303

IUPAC(1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
SMILESC[C@@H](NCc1cc(F)c(F)c(F)c1)C1CCCCC1
InChIInChI=1S/C15H20F3N/c1-10(12-5-3-2-4-6-12)19-9-11-7-13(16)15(18)14(17)8-11/h7-8,10,12,19H,2-6,9H2,1H3/t10-/m1/s1
InChIKeyCDPZGODQLIAVRK-SNVBAGLBSA-N
MW271.33 g/mol
LogP4.16
Rot. Bonds4

About (1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine

(1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine (PubChem CID 81384303) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
PubChem CID81384303
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name(1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
SMILESC[C@@H](NCc1cc(F)c(F)c(F)c1)C1CCCCC1
InChIInChI=1S/C15H20F3N/c1-10(12-5-3-2-4-6-12)19-9-11-7-13(16)15(18)14(17)8-11/h7-8,10,12,19H,2-6,9H2,1H3/t10-/m1/s1
InChIKeyCDPZGODQLIAVRK-SNVBAGLBSA-N
XLogP4.16
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 ≤ 54.16
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-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol
CID 81394254
(1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 105403256
(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 81390721
(1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 81391098
(1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81384987
N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine
CID 79710185
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine
CID 63478348
(1R)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81395487
(1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81386110
4-[[[(1R)-1-cyclohexylethyl]amino]methyl]-2-fluorobenzoic acid
CID 106700240
4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol
CID 62405183
methyl 4-[(1-cyclohexylethylamino)methyl]-2-fluorobenzoate
CID 104577551

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine (CID 81384303) is (1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine is C[C@@H](NCc1cc(F)c(F)c(F)c1)C1CCCCC1.
What is the InChIKey of (1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine?
The InChIKey is CDPZGODQLIAVRK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20F3N/c1-10(12-5-3-2-4-6-12)19-9-11-7-13(16)15(18)14(17)8-11/h7-8,10,12,19H,2-6,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine?
(1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine has a molecular weight of 271.33 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 81384303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).