2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride

C10H12Cl2F3NO2 — CID 170893687

IUPAC2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1cc(Cl)cc(OC(F)(F)F)c1
InChIInChI=1S/C10H11ClF3NO2.ClH/c11-7-1-6(2-8(15)5-16)3-9(4-7)17-10(12,13)14;/h1,3-4,8,16H,2,5,15H2;1H
InChIKeyNJNMJOZGAGVZNW-UHFFFAOYSA-N
MW306.11 g/mol
LogP2.52
Rot. Bonds4

About 2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride

2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride (PubChem CID 170893687) has the molecular formula C10H12Cl2F3NO2 and a molecular weight of 306.11 g/mol. Its IUPAC name is 2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
PubChem CID170893687
Molecular FormulaC10H12Cl2F3NO2
Molecular Weight306.11 g/mol
Exact Mass305.02
IUPAC Name2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1cc(Cl)cc(OC(F)(F)F)c1
InChIInChI=1S/C10H11ClF3NO2.ClH/c11-7-1-6(2-8(15)5-16)3-9(4-7)17-10(12,13)14;/h1,3-4,8,16H,2,5,15H2;1H
InChIKeyNJNMJOZGAGVZNW-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 ≤ 500306.11
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891292
2-amino-3-[2,6-dichloro-4-(trifluoromethoxy)phenyl]propan-1-ol
CID 170893686
2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 64573058
2-amino-3-[3-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170892599
1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane
CID 143344817
2-amino-3-[3-(3,5-dichlorophenoxy)phenyl]propan-1-ol
CID 170893180
2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893673
2-amino-3-(3,5-dimethoxyphenyl)propan-1-ol
CID 21398979
2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 87789027
ethyl 3-[3-chloro-5-(trifluoromethoxy)phenyl]propanoate
CID 134632586
2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-(trifluoromethoxy)phenol
CID 66516297
(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol
CID 162341885

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride (CID 170893687) is 2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride is Cl.NC(CO)Cc1cc(Cl)cc(OC(F)(F)F)c1.
What is the InChIKey of 2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride?
The InChIKey is NJNMJOZGAGVZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO2.ClH/c11-7-1-6(2-8(15)5-16)3-9(4-7)17-10(12,13)14;/h1,3-4,8,16H,2,5,15H2;1H.
What are the key properties of 2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride?
2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride has a molecular weight of 306.11 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 2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170893687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).