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

C15H14Cl2FNO — CID 65190026

IUPAC3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol
SMILESNCC(c1cccc(F)c1)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2FNO/c16-10-4-5-12(14(17)7-10)15(20)13(8-19)9-2-1-3-11(18)6-9/h1-7,13,15,20H,8,19H2
InChIKeyLLGZISGSZSGGIY-UHFFFAOYSA-N
MW314.19 g/mol
LogP3.91
Rot. Bonds4

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

3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol (PubChem CID 65190026) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol
PubChem CID65190026
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol
SMILESNCC(c1cccc(F)c1)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2FNO/c16-10-4-5-12(14(17)7-10)15(20)13(8-19)9-2-1-3-11(18)6-9/h1-7,13,15,20H,8,19H2
InChIKeyLLGZISGSZSGGIY-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

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Related Compounds

3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189329
3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
CID 65186275
3-amino-1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185321
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65188062
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-1-(2-bromo-5-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186180
3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189186
3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525799
3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol
CID 65188081
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
CID 65187815

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol (CID 65190026) is 3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol is NCC(c1cccc(F)c1)C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol?
The InChIKey is LLGZISGSZSGGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c16-10-4-5-12(14(17)7-10)15(20)13(8-19)9-2-1-3-11(18)6-9/h1-7,13,15,20H,8,19H2.
What are the key properties of 3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol?
3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)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-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65190026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).