3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol

C12H22F3NO — CID 113492081

IUPAC3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
SMILESCC(C)C(O)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-8(2)11(17)7-16-10-5-3-4-9(6-10)12(13,14)15/h8-11,16-17H,3-7H2,1-2H3
InChIKeyNFXBJUHYWKNCGK-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.71
Rot. Bonds4

About 3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol

3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol (PubChem CID 113492081) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
PubChem CID113492081
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
SMILESCC(C)C(O)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-8(2)11(17)7-16-10-5-3-4-9(6-10)12(13,14)15/h8-11,16-17H,3-7H2,1-2H3
InChIKeyNFXBJUHYWKNCGK-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol with MolForge

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Related Compounds

3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine
CID 64759598
N-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 114615558
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]propane-1,2-diamine
CID 64756963
(2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 99627947
(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide
CID 100835824
4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 102609773
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 62852011
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
cis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 124830068
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-2-ol
CID 115720450
4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 102609647
5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 107302816

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The IUPAC name of 3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol (CID 113492081) is 3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The canonical SMILES for 3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol is CC(C)C(O)CNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The InChIKey is NFXBJUHYWKNCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-8(2)11(17)7-16-10-5-3-4-9(6-10)12(13,14)15/h8-11,16-17H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol has a molecular weight of 253.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol is sourced from PubChem (CID 113492081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).