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

C15H13Cl3FNO — CID 65188062

IUPAC3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
SMILESNCC(c1ccc(F)cc1Cl)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl3FNO/c16-8-1-3-11(13(17)5-8)15(21)12(7-20)10-4-2-9(19)6-14(10)18/h1-6,12,15,21H,7,20H2
InChIKeyQHTPXJDJTZDYFD-UHFFFAOYSA-N
MW348.63 g/mol
LogP4.56
Rot. Bonds4

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

3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol (PubChem CID 65188062) has the molecular formula C15H13Cl3FNO and a molecular weight of 348.63 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
PubChem CID65188062
Molecular FormulaC15H13Cl3FNO
Molecular Weight348.63 g/mol
Exact Mass347.00
IUPAC Name3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
SMILESNCC(c1ccc(F)cc1Cl)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl3FNO/c16-8-1-3-11(13(17)5-8)15(21)12(7-20)10-4-2-9(19)6-14(10)18/h1-6,12,15,21H,7,20H2
InChIKeyQHTPXJDJTZDYFD-UHFFFAOYSA-N
XLogP4.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 54.56
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-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65187535
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-(2,6-difluorophenyl)propan-1-ol
CID 65189585
3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol
CID 65186297
3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65186212
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol
CID 65188322
3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65186256
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol
CID 107981145
3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65185357
3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525799

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol (CID 65188062) is 3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol is NCC(c1ccc(F)cc1Cl)C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol?
The InChIKey is QHTPXJDJTZDYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3FNO/c16-8-1-3-11(13(17)5-8)15(21)12(7-20)10-4-2-9(19)6-14(10)18/h1-6,12,15,21H,7,20H2.
What are the key properties of 3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol?
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol has a molecular weight of 348.63 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 65188062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).