2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol

C11H16Cl2N2O — CID 115120876

IUPAC2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
SMILESNC(CO)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O/c12-9-2-1-8(11(13)5-9)3-4-15-6-10(14)7-16/h1-2,5,10,15-16H,3-4,6-7,14H2
InChIKeyOKTWEOZKSYYMRP-UHFFFAOYSA-N
MW263.17 g/mol
LogP1.45
Rot. Bonds6

About 2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol

2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol (PubChem CID 115120876) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is 2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
PubChem CID115120876
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
SMILESNC(CO)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O/c12-9-2-1-8(11(13)5-9)3-4-15-6-10(14)7-16/h1-2,5,10,15-16H,3-4,6-7,14H2
InChIKeyOKTWEOZKSYYMRP-UHFFFAOYSA-N
XLogP1.45
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
CID 60921887
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 60672346
1-[2-(2,4-dichlorophenyl)ethylamino]-3-(dimethylamino)propan-2-ol
CID 60897738
2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714746
2-amino-3-[2-(4-tert-butyl-2-methylphenyl)ethylamino]propan-1-ol
CID 115120856
1-[2-(2,4-dichlorophenyl)ethylamino]-3-ethoxypropan-2-ol
CID 63934394
1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885487
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263877
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol?
The IUPAC name of 2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol (CID 115120876) is 2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol?
The canonical SMILES for 2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol is NC(CO)CNCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol?
The InChIKey is OKTWEOZKSYYMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O/c12-9-2-1-8(11(13)5-9)3-4-15-6-10(14)7-16/h1-2,5,10,15-16H,3-4,6-7,14H2.
What are the key properties of 2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol?
2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol has a molecular weight of 263.17 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol is sourced from PubChem (CID 115120876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).