3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol

C15H13Cl2F2NO — CID 65189329

IUPAC3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
SMILESNCC(c1cc(F)cc(F)c1)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2F2NO/c16-9-1-2-12(14(17)5-9)15(21)13(7-20)8-3-10(18)6-11(19)4-8/h1-6,13,15,21H,7,20H2
InChIKeyRMSZXPQXGWWYIR-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.05
Rot. Bonds4

About 3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol

3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol (PubChem CID 65189329) has the molecular formula C15H13Cl2F2NO and a molecular weight of 332.18 g/mol. Its IUPAC name is 3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
PubChem CID65189329
Molecular FormulaC15H13Cl2F2NO
Molecular Weight332.18 g/mol
Exact Mass331.03
IUPAC Name3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
SMILESNCC(c1cc(F)cc(F)c1)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2F2NO/c16-9-1-2-12(14(17)5-9)15(21)13(7-20)8-3-10(18)6-11(19)4-8/h1-6,13,15,21H,7,20H2
InChIKeyRMSZXPQXGWWYIR-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-(2,4-dichlorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185321
3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190026
3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65186212
3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189186
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65188062
3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525799
3-amino-1-(3-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189903
3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol
CID 65186297
3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol
CID 65189287
3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65186256
3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
CID 65186275
3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106690427

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol (CID 65189329) is 3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol is NCC(c1cc(F)cc(F)c1)C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol?
The InChIKey is RMSZXPQXGWWYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2NO/c16-9-1-2-12(14(17)5-9)15(21)13(7-20)8-3-10(18)6-11(19)4-8/h1-6,13,15,21H,7,20H2.
What are the key properties of 3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol?
3-amino-1-(2,4-dichlorophenyl)-2-(3,5-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-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 65189329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).