3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol

C15H13Cl4NO — CID 65190626

IUPAC3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
SMILESNCC(c1ccc(Cl)c(Cl)c1)C(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl4NO/c16-9-2-4-12(17)10(6-9)15(21)11(7-20)8-1-3-13(18)14(19)5-8/h1-6,11,15,21H,7,20H2
InChIKeySRAJBVZQNGCSEA-UHFFFAOYSA-N
MW365.09 g/mol
LogP5.08
Rot. Bonds4

About 3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol

3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol (PubChem CID 65190626) has the molecular formula C15H13Cl4NO and a molecular weight of 365.09 g/mol. Its IUPAC name is 3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
PubChem CID65190626
Molecular FormulaC15H13Cl4NO
Molecular Weight365.09 g/mol
Exact Mass362.98
IUPAC Name3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
SMILESNCC(c1ccc(Cl)c(Cl)c1)C(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl4NO/c16-9-2-4-12(17)10(6-9)15(21)11(7-20)8-1-3-13(18)14(19)5-8/h1-6,11,15,21H,7,20H2
InChIKeySRAJBVZQNGCSEA-UHFFFAOYSA-N
XLogP5.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.09
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 65188048
3-amino-1-(3-chloro-4-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 82876687
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol
CID 65190263
3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65190727
3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65186212
3-amino-1-(2-bromo-5-methylphenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 81117504
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65190424
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorophenyl)propan-1-ol
CID 65186380
3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525799
3-amino-1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185321
3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65190367

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol (CID 65190626) is 3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol is NCC(c1ccc(Cl)c(Cl)c1)C(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol?
The InChIKey is SRAJBVZQNGCSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl4NO/c16-9-2-4-12(17)10(6-9)15(21)11(7-20)8-1-3-13(18)14(19)5-8/h1-6,11,15,21H,7,20H2.
What are the key properties of 3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol?
3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol has a molecular weight of 365.09 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 65190626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).