4-methoxy-3-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol

C12H22F3NO2 — CID 104844749

IUPAC4-methoxy-3-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
SMILESCOCC(CCO)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO2/c1-18-8-11(6-7-17)16-10-4-2-9(3-5-10)12(13,14)15/h9-11,16-17H,2-8H2,1H3
InChIKeyPLCLMVIYDAULQF-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.09
Rot. Bonds6

About 4-methoxy-3-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol

4-methoxy-3-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol (PubChem CID 104844749) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-methoxy-3-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
PubChem CID104844749
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name4-methoxy-3-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
SMILESCOCC(CCO)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO2/c1-18-8-11(6-7-17)16-10-4-2-9(3-5-10)12(13,14)15/h9-11,16-17H,2-8H2,1H3
InChIKeyPLCLMVIYDAULQF-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

3-(azetidin-3-ylamino)-4-methoxybutan-1-ol
CID 106156395
3-(cyclopropylamino)pentan-1-ol
CID 83815190
3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybutan-1-ol
CID 103785498
2-(cyclopropylamino)-3-(2-methoxyethoxy)propan-1-ol
CID 64804262
trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol
CID 106159498
3-(cyclopropylamino)-5-methylhexan-1-ol
CID 112708679
N-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
CID 82714410
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid
CID 106162234
4-methoxy-3-(1-oxaspiro[5.5]undecan-4-ylamino)butan-1-ol
CID 106159687
N-(1-methoxyhexan-2-yl)cyclopentanamine
CID 115704960
3-cyclopentyl-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799344
2-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 64803991

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol (CID 104844749) is 4-methoxy-3-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol is COCC(CCO)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-methoxy-3-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
The InChIKey is PLCLMVIYDAULQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-18-8-11(6-7-17)16-10-4-2-9(3-5-10)12(13,14)15/h9-11,16-17H,2-8H2,1H3.
What are the key properties of 4-methoxy-3-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
4-methoxy-3-[[4-(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-3-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol is sourced from PubChem (CID 104844749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).