2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol

C13H18F3NO — CID 48542193

IUPAC2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCCCN(C)CC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c1-3-7-17(2)9-12(18)10-5-4-6-11(8-10)13(14,15)16/h4-6,8,12,18H,3,7,9H2,1-2H3
InChIKeyKCDHKVZWAWMBEI-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.08
Rot. Bonds5

About 2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol

2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 48542193) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID48542193
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCCCN(C)CC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c1-3-7-17(2)9-12(18)10-5-4-6-11(8-10)13(14,15)16/h4-6,8,12,18H,3,7,9H2,1-2H3
InChIKeyKCDHKVZWAWMBEI-UHFFFAOYSA-N
XLogP3.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
2-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-methylamino]-N-methylacetamide
CID 94399881
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
(1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 99809966
3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
CID 81463154
2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
CID 115792392
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
N'-methyl-N'-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54938195
1-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-3-(trifluoromethyl)benzene
CID 71911336
2-(diethylamino)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 79053452

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol (CID 48542193) is 2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol is CCCN(C)CC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is KCDHKVZWAWMBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-3-7-17(2)9-12(18)10-5-4-6-11(8-10)13(14,15)16/h4-6,8,12,18H,3,7,9H2,1-2H3.
What are the key properties of 2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 261.29 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 48542193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).