1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol

C12H17Cl2NO2 — CID 82315777

IUPAC1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol
SMILESCOCCNC(C)C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO2/c1-8(15-5-6-17-2)12(16)9-3-4-10(13)11(14)7-9/h3-4,7-8,12,15-16H,5-6H2,1-2H3
InChIKeyWBNPSWIDDCHUNO-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.65
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol

1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol (PubChem CID 82315777) has the molecular formula C12H17Cl2NO2 and a molecular weight of 278.18 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol
PubChem CID82315777
Molecular FormulaC12H17Cl2NO2
Molecular Weight278.18 g/mol
Exact Mass277.06
IUPAC Name1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol
SMILESCOCCNC(C)C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO2/c1-8(15-5-6-17-2)12(16)9-3-4-10(13)11(14)7-9/h3-4,7-8,12,15-16H,5-6H2,1-2H3
InChIKeyWBNPSWIDDCHUNO-UHFFFAOYSA-N
XLogP2.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-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

2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62543484
1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol
CID 82312671
1-(3,4-dichlorophenyl)-3-methylbutane-1,2-diol
CID 103456454
N-[4-[1-hydroxy-2-(2-methoxyethylamino)propyl]phenyl]propanamide
CID 82315404
N-[1-(3,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119686021
2-(2-methoxyethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82314934
N-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62544919
1-(4-tert-butylphenyl)-2-(3-methoxypropylamino)propan-1-ol
CID 82313612
(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
CID 28743731
1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol
CID 82316157
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 103711036
N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191934

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol (CID 82315777) is 1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol is COCCNC(C)C(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol?
The InChIKey is WBNPSWIDDCHUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2/c1-8(15-5-6-17-2)12(16)9-3-4-10(13)11(14)7-9/h3-4,7-8,12,15-16H,5-6H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol?
1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol has a molecular weight of 278.18 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol is sourced from PubChem (CID 82315777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).