3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol

C15H14Cl2FNO — CID 65186472

IUPAC3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
SMILESNCC(c1cccc(Cl)c1)C(O)c1c(F)cccc1Cl
InChIInChI=1S/C15H14Cl2FNO/c16-10-4-1-3-9(7-10)11(8-19)15(20)14-12(17)5-2-6-13(14)18/h1-7,11,15,20H,8,19H2
InChIKeyGTUGHBFWCFXVJH-UHFFFAOYSA-N
MW314.19 g/mol
LogP3.91
Rot. Bonds4

About 3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol

3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol (PubChem CID 65186472) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
PubChem CID65186472
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
SMILESNCC(c1cccc(Cl)c1)C(O)c1c(F)cccc1Cl
InChIInChI=1S/C15H14Cl2FNO/c16-10-4-1-3-9(7-10)11(8-19)15(20)14-12(17)5-2-6-13(14)18/h1-7,11,15,20H,8,19H2
InChIKeyGTUGHBFWCFXVJH-UHFFFAOYSA-N
XLogP3.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorophenyl)propan-1-ol
CID 65186380
3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
CID 65186275
3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 65186071
3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol
CID 65186627
3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186090
3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol
CID 65188287
3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol
CID 65188028
3-amino-1-(3-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189903
3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 82874545
3-amino-1-(2-bromo-6-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 114561223
3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190026
3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186666

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol (CID 65186472) is 3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol is NCC(c1cccc(Cl)c1)C(O)c1c(F)cccc1Cl.
What is the InChIKey of 3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol?
The InChIKey is GTUGHBFWCFXVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c16-10-4-1-3-9(7-10)11(8-19)15(20)14-12(17)5-2-6-13(14)18/h1-7,11,15,20H,8,19H2.
What are the key properties of 3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol?
3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol has a molecular weight of 314.19 g/mol, XLogP of 3.91, 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-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol is sourced from PubChem (CID 65186472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).