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

C9H11Cl2NO — CID 79684863

IUPAC3-amino-2-(2,4-dichlorophenyl)propan-1-ol
SMILESNCC(CO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2NO/c10-7-1-2-8(9(11)3-7)6(4-12)5-13/h1-3,6,13H,4-5,12H2
InChIKeyJZCVQGDVGULYCO-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.03
Rot. Bonds3

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

3-amino-2-(2,4-dichlorophenyl)propan-1-ol (PubChem CID 79684863) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 3-amino-2-(2,4-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,4-dichlorophenyl)propan-1-ol
PubChem CID79684863
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name3-amino-2-(2,4-dichlorophenyl)propan-1-ol
SMILESNCC(CO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2NO/c10-7-1-2-8(9(11)3-7)6(4-12)5-13/h1-3,6,13H,4-5,12H2
InChIKeyJZCVQGDVGULYCO-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-amino-2-(4-chlorophenyl)propan-1-ol
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2-(2,4-dichlorophenyl)pentan-1-ol;methanesulfonic acid
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2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine
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3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
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5-(2-chlorophenyl)-2-(2,4-dichlorophenyl)pent-4-en-1-ol
CID 54506353
(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171212529
3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65186212
4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol
CID 171880819
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine
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(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,4-dichlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2,4-dichlorophenyl)propan-1-ol (CID 79684863) is 3-amino-2-(2,4-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2,4-dichlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2,4-dichlorophenyl)propan-1-ol is NCC(CO)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-amino-2-(2,4-dichlorophenyl)propan-1-ol?
The InChIKey is JZCVQGDVGULYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c10-7-1-2-8(9(11)3-7)6(4-12)5-13/h1-3,6,13H,4-5,12H2.
What are the key properties of 3-amino-2-(2,4-dichlorophenyl)propan-1-ol?
3-amino-2-(2,4-dichlorophenyl)propan-1-ol has a molecular weight of 220.10 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,4-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 79684863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).