2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol

C13H18F3NO — CID 43207200

IUPAC2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol
SMILESCCC(CO)NC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-3-12(8-18)17-9(2)10-4-6-11(7-5-10)13(14,15)16/h4-7,9,12,17-18H,3,8H2,1-2H3
InChIKeyQZRLGUZRZPFCES-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.13
Rot. Bonds5

About 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol

2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol (PubChem CID 43207200) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol
PubChem CID43207200
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol
SMILESCCC(CO)NC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-3-12(8-18)17-9(2)10-4-6-11(7-5-10)13(14,15)16/h4-7,9,12,17-18H,3,8H2,1-2H3
InChIKeyQZRLGUZRZPFCES-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine
CID 63944741
(2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 113352326
(2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol
CID 111521938
(2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol
CID 103922455
(2R)-2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol
CID 103922580
4-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]benzenesulfonamide
CID 104980890
2-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol
CID 62517490
N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43202288
2-(1-naphthalen-2-ylethylamino)butan-1-ol
CID 43207106
2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol
CID 43207184
(2R)-2-[1-(4-bromo-3-methylphenyl)ethylamino]butan-1-ol
CID 103949550
(2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butan-1-ol
CID 28724284

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol?
The IUPAC name of 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol (CID 43207200) is 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol.
What is the SMILES notation for 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol?
The canonical SMILES for 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol is CCC(CO)NC(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol?
The InChIKey is QZRLGUZRZPFCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-3-12(8-18)17-9(2)10-4-6-11(7-5-10)13(14,15)16/h4-7,9,12,17-18H,3,8H2,1-2H3.
What are the key properties of 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol?
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol has a molecular weight of 261.29 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol is sourced from PubChem (CID 43207200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).