4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol

C10H13Cl2NO2 — CID 171880819

IUPAC4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol
SMILESNCCC(O)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO2/c11-6-1-2-7(8(12)5-6)10(15)9(14)3-4-13/h1-2,5,9-10,14-15H,3-4,13H2
InChIKeyZBMHLXSUWAMEGY-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.74
Rot. Bonds4

About 4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol

4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol (PubChem CID 171880819) has the molecular formula C10H13Cl2NO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is 4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol
PubChem CID171880819
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12 g/mol
Exact Mass249.03
IUPAC Name4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol
SMILESNCCC(O)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO2/c11-6-1-2-7(8(12)5-6)10(15)9(14)3-4-13/h1-2,5,9-10,14-15H,3-4,13H2
InChIKeyZBMHLXSUWAMEGY-UHFFFAOYSA-N
XLogP1.74
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(4-amino-2-chlorophenyl)butane-1,2-diol
CID 171880949
(2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol
CID 147495518
(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
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
4-amino-1-(2-chloro-4-fluoro-3-methylphenyl)butane-1,2-diol
CID 171881103
3-(4-amino-1,2-dihydroxybutyl)-4-chlorobenzoic acid
CID 171881520
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65188062
1-(2-amino-5-chlorophenyl)-4-sulfanylbutane-1,2-diol
CID 171873792
3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189329
3-amino-1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185321
3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525799

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol?
The IUPAC name of 4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol (CID 171880819) is 4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol.
What is the SMILES notation for 4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol?
The canonical SMILES for 4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol is NCCC(O)C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol?
The InChIKey is ZBMHLXSUWAMEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2/c11-6-1-2-7(8(12)5-6)10(15)9(14)3-4-13/h1-2,5,9-10,14-15H,3-4,13H2.
What are the key properties of 4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol?
4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol has a molecular weight of 250.12 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol is sourced from PubChem (CID 171880819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).