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

C15H14ClF2NO — CID 65189186

IUPAC3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
SMILESNCC(c1cc(F)cc(F)c1)C(O)c1ccccc1Cl
InChIInChI=1S/C15H14ClF2NO/c16-14-4-2-1-3-12(14)15(20)13(8-19)9-5-10(17)7-11(18)6-9/h1-7,13,15,20H,8,19H2
InChIKeyWAAJGAIAUKBKMK-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.39
Rot. Bonds4

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

3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol (PubChem CID 65189186) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
PubChem CID65189186
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
SMILESNCC(c1cc(F)cc(F)c1)C(O)c1ccccc1Cl
InChIInChI=1S/C15H14ClF2NO/c16-14-4-2-1-3-12(14)15(20)13(8-19)9-5-10(17)7-11(18)6-9/h1-7,13,15,20H,8,19H2
InChIKeyWAAJGAIAUKBKMK-UHFFFAOYSA-N
XLogP3.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 53.39
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-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol
CID 65186297
3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190026
3-amino-1-(2-chlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525726
3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol
CID 65189287
3-amino-1-(3-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189903
3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184824
3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 65184459
3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106690427
3-amino-1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185415
3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 80523261
3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 107966850

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol (CID 65189186) is 3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol is NCC(c1cc(F)cc(F)c1)C(O)c1ccccc1Cl.
What is the InChIKey of 3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol?
The InChIKey is WAAJGAIAUKBKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c16-14-4-2-1-3-12(14)15(20)13(8-19)9-5-10(17)7-11(18)6-9/h1-7,13,15,20H,8,19H2.
What are the key properties of 3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol?
3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol has a molecular weight of 297.73 g/mol, XLogP of 3.39, 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-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 65189186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).