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

C9H11Cl2NO — CID 22285002

IUPAC2-amino-3-(2,4-dichlorophenyl)propan-1-ol
SMILESNC(CO)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2NO/c10-7-2-1-6(9(11)4-7)3-8(12)5-13/h1-2,4,8,13H,3,5,12H2
InChIKeyYAAHVYMDWVLVEW-UHFFFAOYSA-N
MW220.10 g/mol
LogP1.86
Rot. Bonds3

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

2-amino-3-(2,4-dichlorophenyl)propan-1-ol (PubChem CID 22285002) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 2-amino-3-(2,4-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2,4-dichlorophenyl)propan-1-ol
PubChem CID22285002
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name2-amino-3-(2,4-dichlorophenyl)propan-1-ol
SMILESNC(CO)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2NO/c10-7-2-1-6(9(11)4-7)3-8(12)5-13/h1-2,4,8,13H,3,5,12H2
InChIKeyYAAHVYMDWVLVEW-UHFFFAOYSA-N
XLogP1.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol
CID 66059189
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 115120876
1-cyclopropyl-2-(2,4-dichlorophenyl)ethanamine
CID 62602404
1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine
CID 63412312
2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 170892844
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097361
1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine
CID 62395202
1-(2,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 63412354
1-(2,4-dichlorophenyl)-3,3-dimethylpentan-2-amine
CID 115840191
2-amino-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-ol
CID 170892468
2-chloro-3-(2,4-dichlorophenyl)propanamide
CID 82054649

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4-dichlorophenyl)propan-1-ol?
The IUPAC name of 2-amino-3-(2,4-dichlorophenyl)propan-1-ol (CID 22285002) is 2-amino-3-(2,4-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2,4-dichlorophenyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(2,4-dichlorophenyl)propan-1-ol is NC(CO)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-amino-3-(2,4-dichlorophenyl)propan-1-ol?
The InChIKey is YAAHVYMDWVLVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c10-7-2-1-6(9(11)4-7)3-8(12)5-13/h1-2,4,8,13H,3,5,12H2.
What are the key properties of 2-amino-3-(2,4-dichlorophenyl)propan-1-ol?
2-amino-3-(2,4-dichlorophenyl)propan-1-ol has a molecular weight of 220.10 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 22285002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).