3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol

C10H12F3NO — CID 63215999

IUPAC3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESNCC(CO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)9-3-1-7(2-4-9)8(5-14)6-15/h1-4,8,15H,5-6,14H2
InChIKeyRBGAQCPMAWKTDT-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.74
Rot. Bonds3

About 3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol

3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 63215999) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID63215999
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESNCC(CO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)9-3-1-7(2-4-9)8(5-14)6-15/h1-4,8,15H,5-6,14H2
InChIKeyRBGAQCPMAWKTDT-UHFFFAOYSA-N
XLogP1.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 117245008
3-amino-2-(4-aminophenyl)propan-1-ol
CID 131676348
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
3-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 117244790
2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 117244962
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
prop-2-enyl N-[(2R)-3-amino-2-[4-(trifluoromethyl)phenyl]propyl]carbamate
CID 25270031
3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol
CID 65376991
2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 135083889
2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol
CID 117246541
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol (CID 63215999) is 3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol is NCC(CO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is RBGAQCPMAWKTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)9-3-1-7(2-4-9)8(5-14)6-15/h1-4,8,15H,5-6,14H2.
What are the key properties of 3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol?
3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 219.21 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 63215999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).