2-[[cyclohexyl-[2-(methylamino)ethyl]amino]methyl]-6-(trifluoromethyl)phenol

C17H25F3N2O — CID 162596407

IUPAC2-[[cyclohexyl-[2-(methylamino)ethyl]amino]methyl]-6-(trifluoromethyl)phenol
SMILESCNCCN(Cc1cccc(C(F)(F)F)c1O)C1CCCCC1
InChIInChI=1S/C17H25F3N2O/c1-21-10-11-22(14-7-3-2-4-8-14)12-13-6-5-9-15(16(13)23)17(18,19)20/h5-6,9,14,21,23H,2-4,7-8,10-12H2,1H3
InChIKeyOMWGPOBBGQOPBL-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.77
Rot. Bonds6

About 2-[[cyclohexyl-[2-(methylamino)ethyl]amino]methyl]-6-(trifluoromethyl)phenol

2-[[cyclohexyl-[2-(methylamino)ethyl]amino]methyl]-6-(trifluoromethyl)phenol (PubChem CID 162596407) has the molecular formula C17H25F3N2O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[[cyclohexyl-[2-(methylamino)ethyl]amino]methyl]-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[[cyclohexyl-[2-(methylamino)ethyl]amino]methyl]-6-(trifluoromethyl)phenol
PubChem CID162596407
Molecular FormulaC17H25F3N2O
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC Name2-[[cyclohexyl-[2-(methylamino)ethyl]amino]methyl]-6-(trifluoromethyl)phenol
SMILESCNCCN(Cc1cccc(C(F)(F)F)c1O)C1CCCCC1
InChIInChI=1S/C17H25F3N2O/c1-21-10-11-22(14-7-3-2-4-8-14)12-13-6-5-9-15(16(13)23)17(18,19)20/h5-6,9,14,21,23H,2-4,7-8,10-12H2,1H3
InChIKeyOMWGPOBBGQOPBL-UHFFFAOYSA-N
XLogP3.77
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.77
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-tert-butyl-6-[[cycloheptyl(methyl)amino]methyl]phenol;dichlorozirconium
CID 123752097
2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol
CID 112616052
N'-cycloheptyl-N-methyl-N'-propylethane-1,2-diamine
CID 82931038
2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol
CID 82977158
2-(2-hydroxypropyl)-6-(trifluoromethyl)phenol
CID 117313740
2-[3-(dimethylamino)propyl]-6-(trifluoromethyl)phenol
CID 170865710
2-chloro-6-[[cyclopentyl(2-methylpropyl)amino]methyl]phenol
CID 112616382
N'-cyclohexyl-N-methyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine
CID 138657743
3-[2-(methylamino)ethyl]-6-(trifluoromethyl)benzene-1,2-diol
CID 84698362
4-[[cyclohexyl(ethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117404
N'-cyclobutyl-N'-ethyl-N-methylethane-1,2-diamine;ethane
CID 142444471
2-[cyclopentyl(quinolin-8-ylmethyl)amino]ethanol
CID 60912446

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl-[2-(methylamino)ethyl]amino]methyl]-6-(trifluoromethyl)phenol?
The IUPAC name of 2-[[cyclohexyl-[2-(methylamino)ethyl]amino]methyl]-6-(trifluoromethyl)phenol (CID 162596407) is 2-[[cyclohexyl-[2-(methylamino)ethyl]amino]methyl]-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[[cyclohexyl-[2-(methylamino)ethyl]amino]methyl]-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-[[cyclohexyl-[2-(methylamino)ethyl]amino]methyl]-6-(trifluoromethyl)phenol is CNCCN(Cc1cccc(C(F)(F)F)c1O)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl-[2-(methylamino)ethyl]amino]methyl]-6-(trifluoromethyl)phenol?
The InChIKey is OMWGPOBBGQOPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O/c1-21-10-11-22(14-7-3-2-4-8-14)12-13-6-5-9-15(16(13)23)17(18,19)20/h5-6,9,14,21,23H,2-4,7-8,10-12H2,1H3.
What are the key properties of 2-[[cyclohexyl-[2-(methylamino)ethyl]amino]methyl]-6-(trifluoromethyl)phenol?
2-[[cyclohexyl-[2-(methylamino)ethyl]amino]methyl]-6-(trifluoromethyl)phenol has a molecular weight of 330.39 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl-[2-(methylamino)ethyl]amino]methyl]-6-(trifluoromethyl)phenol is sourced from PubChem (CID 162596407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).