2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol

C13H25F3N2O — CID 107495504

IUPAC2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCNC1CCC(N(CCO)CC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-2-7-17-11-3-5-12(6-4-11)18(8-9-19)10-13(14,15)16/h11-12,17,19H,2-10H2,1H3
InChIKeyIBRRKCSMOKFCDC-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.15
Rot. Bonds7

About 2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107495504) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107495504
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCNC1CCC(N(CCO)CC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-2-7-17-11-3-5-12(6-4-11)18(8-9-19)10-13(14,15)16/h11-12,17,19H,2-10H2,1H3
InChIKeyIBRRKCSMOKFCDC-UHFFFAOYSA-N
XLogP2.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol
CID 114763598
1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine
CID 79618717
2-[pentan-3-yl-[4-(propylamino)cyclohexyl]amino]ethanol
CID 114763071
N,N'-dicyclopropyl-2-ethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256737
N'-cyclopropyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554163
4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
CID 62807259
2-[(3,5-dimethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485883
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine
CID 79618501
[1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
CID 79656540
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine
CID 102999190
2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486939

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107495504) is 2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol is CCCNC1CCC(N(CCO)CC(F)(F)F)CC1.
What is the InChIKey of 2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is IBRRKCSMOKFCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-2-7-17-11-3-5-12(6-4-11)18(8-9-19)10-13(14,15)16/h11-12,17,19H,2-10H2,1H3.
What are the key properties of 2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 282.35 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107495504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).