3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol

C15H14Cl3NO — CID 65184824

IUPAC3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
SMILESNCC(c1c(Cl)cccc1Cl)C(O)c1ccccc1Cl
InChIInChI=1S/C15H14Cl3NO/c16-11-5-2-1-4-9(11)15(20)10(8-19)14-12(17)6-3-7-13(14)18/h1-7,10,15,20H,8,19H2
InChIKeyFMRJWJHHZSPTQC-UHFFFAOYSA-N
MW330.64 g/mol
LogP4.42
Rot. Bonds4

About 3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol

3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol (PubChem CID 65184824) has the molecular formula C15H14Cl3NO and a molecular weight of 330.64 g/mol. Its IUPAC name is 3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
PubChem CID65184824
Molecular FormulaC15H14Cl3NO
Molecular Weight330.64 g/mol
Exact Mass329.01
IUPAC Name3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
SMILESNCC(c1c(Cl)cccc1Cl)C(O)c1ccccc1Cl
InChIInChI=1S/C15H14Cl3NO/c16-11-5-2-1-4-9(11)15(20)10(8-19)14-12(17)6-3-7-13(14)18/h1-7,10,15,20H,8,19H2
InChIKeyFMRJWJHHZSPTQC-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-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184419
3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol
CID 65184614
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186435
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)propan-1-ol
CID 65186723
3-amino-1-(2-chlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525726
3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol
CID 65184470
3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189186
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorophenyl)propan-1-ol
CID 65186380
3-amino-2-(2-chlorophenyl)-1-phenylpropan-1-ol
CID 65184557
3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 80523261
3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol
CID 60734098
3-amino-1-(2-chlorofuran-3-yl)-2-(2-chlorophenyl)propan-1-ol
CID 106690371

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol (CID 65184824) is 3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol is NCC(c1c(Cl)cccc1Cl)C(O)c1ccccc1Cl.
What is the InChIKey of 3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol?
The InChIKey is FMRJWJHHZSPTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO/c16-11-5-2-1-4-9(11)15(20)10(8-19)14-12(17)6-3-7-13(14)18/h1-7,10,15,20H,8,19H2.
What are the key properties of 3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol?
3-amino-1-(2-chlorophenyl)-2-(2,6-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-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 65184824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).