(2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol

C13H25F3N2O — CID 99627947

IUPAC(2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
SMILESCN(C)C[C@](C)(O)CN[C@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-12(19,9-18(2)3)8-17-11-6-4-5-10(7-11)13(14,15)16/h10-11,17,19H,4-9H2,1-3H3/t10-,11-,12+/m0/s1
InChIKeyRCAUWWZBSYDJHZ-SDDRHHMPSA-N
MW282.35 g/mol
LogP2.01
Rot. Bonds5

About (2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol

(2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol (PubChem CID 99627947) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is (2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
PubChem CID99627947
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name(2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
SMILESCN(C)C[C@](C)(O)CN[C@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-12(19,9-18(2)3)8-17-11-6-4-5-10(7-11)13(14,15)16/h10-11,17,19H,4-9H2,1-3H3/t10-,11-,12+/m0/s1
InChIKeyRCAUWWZBSYDJHZ-SDDRHHMPSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol with MolForge

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Related Compounds

4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 102609647
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]propane-1,2-diamine
CID 64756963
4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 102609773
3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 113492081
(2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 100643068
N-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 114615558
N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609637
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 103080784
4,4-dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 65115300
N,N-dimethyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
CID 119043940
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 107302816

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol (CID 99627947) is (2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol is CN(C)C[C@](C)(O)CN[C@H]1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of (2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The InChIKey is RCAUWWZBSYDJHZ-SDDRHHMPSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-12(19,9-18(2)3)8-17-11-6-4-5-10(7-11)13(14,15)16/h10-11,17,19H,4-9H2,1-3H3/t10-,11-,12+/m0/s1.
What are the key properties of (2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
(2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol has a molecular weight of 282.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 99627947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).