4-methoxy-2-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol

C12H22F3NO2 — CID 114210492

IUPAC4-methoxy-2-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
SMILESCOCCC(CO)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-18-7-6-9(8-17)16-11-5-3-2-4-10(11)12(13,14)15/h9-11,16-17H,2-8H2,1H3
InChIKeyXHQQKGQCQZMBGQ-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.09
Rot. Bonds6

About 4-methoxy-2-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol

4-methoxy-2-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol (PubChem CID 114210492) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-methoxy-2-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-2-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
PubChem CID114210492
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name4-methoxy-2-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
SMILESCOCCC(CO)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-18-7-6-9(8-17)16-11-5-3-2-4-10(11)12(13,14)15/h9-11,16-17H,2-8H2,1H3
InChIKeyXHQQKGQCQZMBGQ-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-[[2-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 64758911
4-methyl-3-[[2-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 106348813
N-[2-(2-methoxyethoxy)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64759706
4-methoxy-2-[(2-pyrrolidin-2-ylcyclopentyl)amino]butan-1-ol
CID 114210348
3-methoxy-2-[(2-methoxycyclohexyl)amino]propan-1-ol
CID 106186803
(2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 107862308
2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 64759908
N-[(1S)-1-cyclopentylethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81386134
N-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81384891
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]cyclohexane-1-carbonitrile
CID 106190343
N-hex-5-en-2-yl-2-(trifluoromethyl)cyclohexan-1-amine
CID 113429287
N-(2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434483

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
The IUPAC name of 4-methoxy-2-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol (CID 114210492) is 4-methoxy-2-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol.
What is the SMILES notation for 4-methoxy-2-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
The canonical SMILES for 4-methoxy-2-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol is COCCC(CO)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 4-methoxy-2-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
The InChIKey is XHQQKGQCQZMBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-18-7-6-9(8-17)16-11-5-3-2-4-10(11)12(13,14)15/h9-11,16-17H,2-8H2,1H3.
What are the key properties of 4-methoxy-2-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
4-methoxy-2-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol has a molecular weight of 269.31 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol is sourced from PubChem (CID 114210492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).