2-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-1-ol

C15H15ClFNO — CID 114488231

IUPAC2-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-1-ol
SMILESNC(Cc1ccccc1)C(O)c1cccc(Cl)c1F
InChIInChI=1S/C15H15ClFNO/c16-12-8-4-7-11(14(12)17)15(19)13(18)9-10-5-2-1-3-6-10/h1-8,13,15,19H,9,18H2
InChIKeyYJUGBIOWVZOCKE-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.08
Rot. Bonds4

About 2-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-1-ol

2-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-1-ol (PubChem CID 114488231) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-1-ol
PubChem CID114488231
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-1-ol
SMILESNC(Cc1ccccc1)C(O)c1cccc(Cl)c1F
InChIInChI=1S/C15H15ClFNO/c16-12-8-4-7-11(14(12)17)15(19)13(18)9-10-5-2-1-3-6-10/h1-8,13,15,19H,9,18H2
InChIKeyYJUGBIOWVZOCKE-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2-chlorophenyl)-3-phenylpropan-1-ol
CID 62721860
(1R,2S)-1-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-2-ol
CID 171263945
2-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-1-ol
CID 62720949
3-chloro-1-(3-chloro-2-fluorophenyl)propane-1,2-diol
CID 171861609
2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol
CID 55111786
(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-3-phenylpropan-2-ol
CID 171268024
1-(3-chloro-2-fluorophenyl)-2-(4-ethylphenyl)ethanol
CID 64712768
1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol
CID 64712924
1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 64713656
1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 64712457
2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol
CID 81262394
1-(3-chloro-2-fluorophenyl)-2-(4-iodophenyl)ethanamine
CID 65479346

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-1-ol?
The IUPAC name of 2-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-1-ol (CID 114488231) is 2-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-1-ol?
The canonical SMILES for 2-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-1-ol is NC(Cc1ccccc1)C(O)c1cccc(Cl)c1F.
What is the InChIKey of 2-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-1-ol?
The InChIKey is YJUGBIOWVZOCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c16-12-8-4-7-11(14(12)17)15(19)13(18)9-10-5-2-1-3-6-10/h1-8,13,15,19H,9,18H2.
What are the key properties of 2-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-1-ol?
2-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-1-ol has a molecular weight of 279.74 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-2-fluorophenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 114488231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).