3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol

C14H20F3NO2 — CID 107487245

IUPAC3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)CCN(CCO)CC(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-11-4-2-3-5-12(11)13(20)6-7-18(8-9-19)10-14(15,16)17/h2-5,13,19-20H,6-10H2,1H3
InChIKeyDQPHWGZQEIFVQX-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.28
Rot. Bonds7

About 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol

3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol (PubChem CID 107487245) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol
PubChem CID107487245
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)CCN(CCO)CC(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-11-4-2-3-5-12(11)13(20)6-7-18(8-9-19)10-14(15,16)17/h2-5,13,19-20H,6-10H2,1H3
InChIKeyDQPHWGZQEIFVQX-UHFFFAOYSA-N
XLogP2.28
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62625075
1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 107487213
3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624580
3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624194
3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 63692501
1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62618647
4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol
CID 62608573
2-[2-(2-ethoxyphenoxy)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864883
4,4,4-trifluoro-3-(2-methylphenyl)butan-1-ol
CID 115030499
1-(3-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62623656
N'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55011368
3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol
CID 62624022

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol (CID 107487245) is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol is Cc1ccccc1C(O)CCN(CCO)CC(F)(F)F.
What is the InChIKey of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol?
The InChIKey is DQPHWGZQEIFVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-11-4-2-3-5-12(11)13(20)6-7-18(8-9-19)10-14(15,16)17/h2-5,13,19-20H,6-10H2,1H3.
What are the key properties of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol?
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol has a molecular weight of 291.31 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 107487245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).