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

C15H14ClF2NO — CID 65186275

IUPAC3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
SMILESNCC(c1cccc(Cl)c1)C(O)c1ccc(F)cc1F
InChIInChI=1S/C15H14ClF2NO/c16-10-3-1-2-9(6-10)13(8-19)15(20)12-5-4-11(17)7-14(12)18/h1-7,13,15,20H,8,19H2
InChIKeyFGJKFCHMCHSWFZ-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.39
Rot. Bonds4

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

3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol (PubChem CID 65186275) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
PubChem CID65186275
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
SMILESNCC(c1cccc(Cl)c1)C(O)c1ccc(F)cc1F
InChIInChI=1S/C15H14ClF2NO/c16-10-3-1-2-9(6-10)13(8-19)15(20)12-5-4-11(17)7-14(12)18/h1-7,13,15,20H,8,19H2
InChIKeyFGJKFCHMCHSWFZ-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-bromo-5-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186180
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
3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186090
3-amino-1-(4-chlorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189574
3-amino-1-(3-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189903
3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186472
3-amino-1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185321
3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol
CID 65186297
3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol
CID 65188081
3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185411
3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 65186071

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol (CID 65186275) is 3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol is NCC(c1cccc(Cl)c1)C(O)c1ccc(F)cc1F.
What is the InChIKey of 3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol?
The InChIKey is FGJKFCHMCHSWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c16-10-3-1-2-9(6-10)13(8-19)15(20)12-5-4-11(17)7-14(12)18/h1-7,13,15,20H,8,19H2.
What are the key properties of 3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol?
3-amino-2-(3-chlorophenyl)-1-(2,4-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-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol is sourced from PubChem (CID 65186275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).