1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol

C9H10Cl3NO — CID 130060995

IUPAC1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol
SMILESCC(O)C(N)c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C9H10Cl3NO/c1-4(14)9(13)6-2-5(10)3-7(11)8(6)12/h2-4,9,14H,13H2,1H3
InChIKeyHXDYEOCHKAMLSQ-UHFFFAOYSA-N
MW254.54 g/mol
LogP3.03
Rot. Bonds2

About 1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol

1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol (PubChem CID 130060995) has the molecular formula C9H10Cl3NO and a molecular weight of 254.54 g/mol. Its IUPAC name is 1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol
PubChem CID130060995
Molecular FormulaC9H10Cl3NO
Molecular Weight254.54 g/mol
Exact Mass252.98
IUPAC Name1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol
SMILESCC(O)C(N)c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C9H10Cl3NO/c1-4(14)9(13)6-2-5(10)3-7(11)8(6)12/h2-4,9,14H,13H2,1H3
InChIKeyHXDYEOCHKAMLSQ-UHFFFAOYSA-N
XLogP3.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.54
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol
CID 130713041
(1S,2R)-1-amino-1-(2,3,5-trichlorophenyl)butan-2-ol
CID 131404134
(1S)-1-(2,3,5-trichlorophenyl)ethanamine;hydrochloride
CID 171233500
(1R)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine
CID 130975304
(1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol
CID 171265211
(2S,3S)-3-amino-1,1,1-trifluoro-3-(2,3,5-trichlorophenyl)propan-2-ol
CID 171270878
(1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol;hydrochloride
CID 171265212
(1S)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine;hydrochloride
CID 171251000
2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol
CID 131173726
(1R,2S)-1-amino-1-(5-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171261661
(1S,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130742251
(1R,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130778314

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol?
The IUPAC name of 1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol (CID 130060995) is 1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol.
What is the SMILES notation for 1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol?
The canonical SMILES for 1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol is CC(O)C(N)c1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of 1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol?
The InChIKey is HXDYEOCHKAMLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl3NO/c1-4(14)9(13)6-2-5(10)3-7(11)8(6)12/h2-4,9,14H,13H2,1H3.
What are the key properties of 1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol?
1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol has a molecular weight of 254.54 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol is sourced from PubChem (CID 130060995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).