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

C15H13Cl2F2NO — CID 65190263

IUPAC3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol
SMILESNCC(c1ccc(Cl)c(Cl)c1)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13Cl2F2NO/c16-11-3-1-8(5-12(11)17)10(7-20)15(21)9-2-4-13(18)14(19)6-9/h1-6,10,15,21H,7,20H2
InChIKeyLBLTXXUPBCESEF-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.05
Rot. Bonds4

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

3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol (PubChem CID 65190263) has the molecular formula C15H13Cl2F2NO and a molecular weight of 332.18 g/mol. Its IUPAC name is 3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol
PubChem CID65190263
Molecular FormulaC15H13Cl2F2NO
Molecular Weight332.18 g/mol
Exact Mass331.03
IUPAC Name3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol
SMILESNCC(c1ccc(Cl)c(Cl)c1)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13Cl2F2NO/c16-11-3-1-8(5-12(11)17)10(7-20)15(21)9-2-4-13(18)14(19)6-9/h1-6,10,15,21H,7,20H2
InChIKeyLBLTXXUPBCESEF-UHFFFAOYSA-N
XLogP4.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-chloro-4-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 82876687
3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 65190626
3-amino-2-(2-chlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol
CID 65184409
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65190424
3-amino-1-(2-bromo-6-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 114561223
3-amino-2-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65190367
3-amino-1-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 82876372
3-amino-1-(4-chloro-3-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 107994868
3-amino-1-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 65188783
3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186090
1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol
CID 65190573
3-amino-1-(3-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 82876956

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol (CID 65190263) is 3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol is NCC(c1ccc(Cl)c(Cl)c1)C(O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol?
The InChIKey is LBLTXXUPBCESEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2NO/c16-11-3-1-8(5-12(11)17)10(7-20)15(21)9-2-4-13(18)14(19)6-9/h1-6,10,15,21H,7,20H2.
What are the key properties of 3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol?
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol has a molecular weight of 332.18 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol is sourced from PubChem (CID 65190263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).