5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol

C15H20F3NO2 — CID 61263630

IUPAC5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol
SMILESCOc1ccc(CNC2CCCCC2C(F)(F)F)c(O)c1
InChIInChI=1S/C15H20F3NO2/c1-21-11-7-6-10(14(20)8-11)9-19-13-5-3-2-4-12(13)15(16,17)18/h6-8,12-13,19-20H,2-5,9H2,1H3
InChIKeyPEEQYACCNQZQAN-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.61
Rot. Bonds4

About 5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol

5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol (PubChem CID 61263630) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol
PubChem CID61263630
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol
SMILESCOc1ccc(CNC2CCCCC2C(F)(F)F)c(O)c1
InChIInChI=1S/C15H20F3NO2/c1-21-11-7-6-10(14(20)8-11)9-19-13-5-3-2-4-12(13)15(16,17)18/h6-8,12-13,19-20H,2-5,9H2,1H3
InChIKeyPEEQYACCNQZQAN-UHFFFAOYSA-N
XLogP3.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(cyclobutylamino)methyl]-5-methoxyphenol
CID 62414161
N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 62134250
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 60957296
2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol
CID 79861822
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylcycloheptan-1-amine
CID 102876472
5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
CID 61264001
2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 62365081
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
2-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 102876314
2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 36813059
2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]aniline
CID 66418811
N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 2852810

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol?
The IUPAC name of 5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol (CID 61263630) is 5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol?
The canonical SMILES for 5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol is COc1ccc(CNC2CCCCC2C(F)(F)F)c(O)c1.
What is the InChIKey of 5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol?
The InChIKey is PEEQYACCNQZQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-21-11-7-6-10(14(20)8-11)9-19-13-5-3-2-4-12(13)15(16,17)18/h6-8,12-13,19-20H,2-5,9H2,1H3.
What are the key properties of 5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol?
5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol has a molecular weight of 303.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol is sourced from PubChem (CID 61263630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).