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

C10H12Cl3NO — CID 82341716

IUPAC3-amino-1-[4-(trichloromethyl)phenyl]propan-1-ol
SMILESNCCC(O)c1ccc(C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C10H12Cl3NO/c11-10(12,13)8-3-1-7(2-4-8)9(15)5-6-14/h1-4,9,15H,5-6,14H2
InChIKeyQBWGXMUZTRTZMG-UHFFFAOYSA-N
MW268.57 g/mol
LogP2.90
Rot. Bonds3

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

3-amino-1-[4-(trichloromethyl)phenyl]propan-1-ol (PubChem CID 82341716) has the molecular formula C10H12Cl3NO and a molecular weight of 268.57 g/mol. Its IUPAC name is 3-amino-1-[4-(trichloromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[4-(trichloromethyl)phenyl]propan-1-ol
PubChem CID82341716
Molecular FormulaC10H12Cl3NO
Molecular Weight268.57 g/mol
Exact Mass267.00
IUPAC Name3-amino-1-[4-(trichloromethyl)phenyl]propan-1-ol
SMILESNCCC(O)c1ccc(C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C10H12Cl3NO/c11-10(12,13)8-3-1-7(2-4-8)9(15)5-6-14/h1-4,9,15H,5-6,14H2
InChIKeyQBWGXMUZTRTZMG-UHFFFAOYSA-N
XLogP2.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.57
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(trichloromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-[4-(trichloromethyl)phenyl]propan-1-ol (CID 82341716) is 3-amino-1-[4-(trichloromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[4-(trichloromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-[4-(trichloromethyl)phenyl]propan-1-ol is NCCC(O)c1ccc(C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 3-amino-1-[4-(trichloromethyl)phenyl]propan-1-ol?
The InChIKey is QBWGXMUZTRTZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl3NO/c11-10(12,13)8-3-1-7(2-4-8)9(15)5-6-14/h1-4,9,15H,5-6,14H2.
What are the key properties of 3-amino-1-[4-(trichloromethyl)phenyl]propan-1-ol?
3-amino-1-[4-(trichloromethyl)phenyl]propan-1-ol has a molecular weight of 268.57 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(trichloromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 82341716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).