3-amino-1-(2-chlorophenyl)-1-(4-fluorophenyl)propan-2-ol

C15H15ClFNO — CID 138490054

IUPAC3-amino-1-(2-chlorophenyl)-1-(4-fluorophenyl)propan-2-ol
SMILESNCC(O)C(c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C15H15ClFNO/c16-13-4-2-1-3-12(13)15(14(19)9-18)10-5-7-11(17)8-6-10/h1-8,14-15,19H,9,18H2
InChIKeyGYKRDBJLIOQNRM-UHFFFAOYSA-N
MW279.74 g/mol
LogP2.93
Rot. Bonds4

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

3-amino-1-(2-chlorophenyl)-1-(4-fluorophenyl)propan-2-ol (PubChem CID 138490054) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 3-amino-1-(2-chlorophenyl)-1-(4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1-(2-chlorophenyl)-1-(4-fluorophenyl)propan-2-ol
PubChem CID138490054
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name3-amino-1-(2-chlorophenyl)-1-(4-fluorophenyl)propan-2-ol
SMILESNCC(O)C(c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C15H15ClFNO/c16-13-4-2-1-3-12(13)15(14(19)9-18)10-5-7-11(17)8-6-10/h1-8,14-15,19H,9,18H2
InChIKeyGYKRDBJLIOQNRM-UHFFFAOYSA-N
XLogP2.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol
CID 82090652
2-(2-chlorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol
CID 70490413
3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 138490004
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189186
1-(2-chlorophenyl)-2-(ethylamino)-2-(4-fluorophenyl)ethanol
CID 143719809
3-amino-2-(2-chlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol
CID 65184409
2-amino-1-(2-chloro-5-fluorophenyl)ethanol
CID 82404297
3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 65184459
3-amino-2-(2-fluorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 65185919
3-amino-2-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-ol
CID 65184960
(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine
CID 62945856

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chlorophenyl)-1-(4-fluorophenyl)propan-2-ol?
The IUPAC name of 3-amino-1-(2-chlorophenyl)-1-(4-fluorophenyl)propan-2-ol (CID 138490054) is 3-amino-1-(2-chlorophenyl)-1-(4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 3-amino-1-(2-chlorophenyl)-1-(4-fluorophenyl)propan-2-ol?
The canonical SMILES for 3-amino-1-(2-chlorophenyl)-1-(4-fluorophenyl)propan-2-ol is NCC(O)C(c1ccc(F)cc1)c1ccccc1Cl.
What is the InChIKey of 3-amino-1-(2-chlorophenyl)-1-(4-fluorophenyl)propan-2-ol?
The InChIKey is GYKRDBJLIOQNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c16-13-4-2-1-3-12(13)15(14(19)9-18)10-5-7-11(17)8-6-10/h1-8,14-15,19H,9,18H2.
What are the key properties of 3-amino-1-(2-chlorophenyl)-1-(4-fluorophenyl)propan-2-ol?
3-amino-1-(2-chlorophenyl)-1-(4-fluorophenyl)propan-2-ol has a molecular weight of 279.74 g/mol, XLogP of 2.93, 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)-1-(4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 138490054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).