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

C11H15ClF3NO2 — CID 170875043

IUPAC3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
SMILESCOc1ccc(C(N)CCO)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C11H14F3NO2.ClH/c1-17-7-2-3-8(10(15)4-5-16)9(6-7)11(12,13)14;/h2-3,6,10,16H,4-5,15H2,1H3;1H
InChIKeyKJILQAPYSPFZHF-UHFFFAOYSA-N
MW285.69 g/mol
LogP2.52
Rot. Bonds4

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

3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride (PubChem CID 170875043) has the molecular formula C11H15ClF3NO2 and a molecular weight of 285.69 g/mol. Its IUPAC name is 3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
PubChem CID170875043
Molecular FormulaC11H15ClF3NO2
Molecular Weight285.69 g/mol
Exact Mass285.07
IUPAC Name3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
SMILESCOc1ccc(C(N)CCO)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C11H14F3NO2.ClH/c1-17-7-2-3-8(10(15)4-5-16)9(6-7)11(12,13)14;/h2-3,6,10,16H,4-5,15H2,1H3;1H
InChIKeyKJILQAPYSPFZHF-UHFFFAOYSA-N
XLogP2.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171227759
(1S)-3-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171227736
(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171227710
(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride
CID 171227707
4-amino-4-[4-methoxy-2-(trifluoromethyl)phenyl]butanoic acid
CID 117443816
(3S)-3-amino-2,2-difluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 171249128
2-(1-amino-3-hydroxypropyl)-4-methoxy-6-(trifluoromethyl)phenol
CID 84807568
(1S,2R)-1-amino-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171269180
ethyl (3R)-3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propanoate
CID 171208180
(1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171227730
3-amino-3-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 82284820
4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol
CID 131872319

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride (CID 170875043) is 3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride is COc1ccc(C(N)CCO)c(C(F)(F)F)c1.Cl.
What is the InChIKey of 3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
The InChIKey is KJILQAPYSPFZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2.ClH/c1-17-7-2-3-8(10(15)4-5-16)9(6-7)11(12,13)14;/h2-3,6,10,16H,4-5,15H2,1H3;1H.
What are the key properties of 3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride has a molecular weight of 285.69 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170875043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).