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

C15H14Cl3NO — CID 65186212

IUPAC3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
SMILESNCC(c1ccc(Cl)cc1)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl3NO/c16-10-3-1-9(2-4-10)13(8-19)15(20)12-6-5-11(17)7-14(12)18/h1-7,13,15,20H,8,19H2
InChIKeyLWFKABCWZPVBDX-UHFFFAOYSA-N
MW330.64 g/mol
LogP4.42
Rot. Bonds4

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

3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol (PubChem CID 65186212) has the molecular formula C15H14Cl3NO and a molecular weight of 330.64 g/mol. Its IUPAC name is 3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
PubChem CID65186212
Molecular FormulaC15H14Cl3NO
Molecular Weight330.64 g/mol
Exact Mass329.01
IUPAC Name3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
SMILESNCC(c1ccc(Cl)cc1)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl3NO/c16-10-3-1-9(2-4-10)13(8-19)15(20)12-6-5-11(17)7-14(12)18/h1-7,13,15,20H,8,19H2
InChIKeyLWFKABCWZPVBDX-UHFFFAOYSA-N
XLogP4.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.64
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189329
3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190026
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65188062
3-amino-1-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 65188048
3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 65190626
3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 65186071
3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65186256
3-amino-1-(2-chloro-4-methylphenyl)-2-phenylpropan-1-ol
CID 106864312
3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65185357
3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol
CID 65186297

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol (CID 65186212) is 3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol is NCC(c1ccc(Cl)cc1)C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol?
The InChIKey is LWFKABCWZPVBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO/c16-10-3-1-9(2-4-10)13(8-19)15(20)12-6-5-11(17)7-14(12)18/h1-7,13,15,20H,8,19H2.
What are the key properties of 3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol?
3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol has a molecular weight of 330.64 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 65186212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).