3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol

C12H16F3NO — CID 81463154

IUPAC3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
SMILESCCC(N)CC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-2-10(16)7-11(17)8-4-3-5-9(6-8)12(13,14)15/h3-6,10-11,17H,2,7,16H2,1H3
InChIKeyHVGNOVQSXKDWBI-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.87
Rot. Bonds4

About 3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol

3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol (PubChem CID 81463154) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
PubChem CID81463154
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
SMILESCCC(N)CC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-2-10(16)7-11(17)8-4-3-5-9(6-8)12(13,14)15/h3-6,10-11,17H,2,7,16H2,1H3
InChIKeyHVGNOVQSXKDWBI-UHFFFAOYSA-N
XLogP2.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
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2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
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(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
3-amino-2-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 57455752
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
4-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 64718997
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 48542193
1-(2-chlorophenyl)propan-1-ol;ethane;1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 169139181
ethyl 2-hydroxy-3-[3-(trifluoromethyl)phenyl]butanoate
CID 66290861

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol?
The IUPAC name of 3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol (CID 81463154) is 3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol.
What is the SMILES notation for 3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol?
The canonical SMILES for 3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol is CCC(N)CC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol?
The InChIKey is HVGNOVQSXKDWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-2-10(16)7-11(17)8-4-3-5-9(6-8)12(13,14)15/h3-6,10-11,17H,2,7,16H2,1H3.
What are the key properties of 3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol?
3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol has a molecular weight of 247.26 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol is sourced from PubChem (CID 81463154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).