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

C10H13Cl2NO — CID 54426127

IUPAC4-amino-1-(2,3-dichlorophenyl)butan-1-ol
SMILESNCCCC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H13Cl2NO/c11-8-4-1-3-7(10(8)12)9(14)5-2-6-13/h1,3-4,9,14H,2,5-6,13H2
InChIKeyLXPVKEWZVGPVSO-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.77
Rot. Bonds4

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

4-amino-1-(2,3-dichlorophenyl)butan-1-ol (PubChem CID 54426127) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 4-amino-1-(2,3-dichlorophenyl)butan-1-ol.

Molecular Properties

Compound Name4-amino-1-(2,3-dichlorophenyl)butan-1-ol
PubChem CID54426127
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name4-amino-1-(2,3-dichlorophenyl)butan-1-ol
SMILESNCCCC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H13Cl2NO/c11-8-4-1-3-7(10(8)12)9(14)5-2-6-13/h1,3-4,9,14H,2,5-6,13H2
InChIKeyLXPVKEWZVGPVSO-UHFFFAOYSA-N
XLogP2.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-amino-1-(2,3-dichlorophenyl)propane-1,2-diol
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1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 62789609
3-(2,3-dichlorophenyl)-3-hydroxypropanoate
CID 19770439
1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927602
1-(2,3-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147543
(1S)-1-(2,3-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol
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1-(2-amino-3-chlorophenyl)butane-1,4-diol
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,3-dichlorophenyl)butan-1-ol?
The IUPAC name of 4-amino-1-(2,3-dichlorophenyl)butan-1-ol (CID 54426127) is 4-amino-1-(2,3-dichlorophenyl)butan-1-ol.
What is the SMILES notation for 4-amino-1-(2,3-dichlorophenyl)butan-1-ol?
The canonical SMILES for 4-amino-1-(2,3-dichlorophenyl)butan-1-ol is NCCCC(O)c1cccc(Cl)c1Cl.
What is the InChIKey of 4-amino-1-(2,3-dichlorophenyl)butan-1-ol?
The InChIKey is LXPVKEWZVGPVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c11-8-4-1-3-7(10(8)12)9(14)5-2-6-13/h1,3-4,9,14H,2,5-6,13H2.
What are the key properties of 4-amino-1-(2,3-dichlorophenyl)butan-1-ol?
4-amino-1-(2,3-dichlorophenyl)butan-1-ol has a molecular weight of 234.13 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,3-dichlorophenyl)butan-1-ol is sourced from PubChem (CID 54426127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).