3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol

C15H15BrFNO — CID 65186386

IUPAC3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol
SMILESNCC(c1ccccc1)C(O)c1ccc(Br)cc1F
InChIInChI=1S/C15H15BrFNO/c16-11-6-7-12(14(17)8-11)15(19)13(9-18)10-4-2-1-3-5-10/h1-8,13,15,19H,9,18H2
InChIKeyQEWNSABJZRSFOL-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.36
Rot. Bonds4

About 3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol

3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol (PubChem CID 65186386) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol
PubChem CID65186386
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol
SMILESNCC(c1ccccc1)C(O)c1ccc(Br)cc1F
InChIInChI=1S/C15H15BrFNO/c16-11-6-7-12(14(17)8-11)15(19)13(9-18)10-4-2-1-3-5-10/h1-8,13,15,19H,9,18H2
InChIKeyQEWNSABJZRSFOL-UHFFFAOYSA-N
XLogP3.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525748
3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol
CID 114376036
3-amino-1-(5-bromo-2-chlorophenyl)-2-phenylpropan-1-ol
CID 65186243
3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
CID 115370271
2-(aminomethyl)-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol
CID 65185739
3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol
CID 65186297
3-amino-1-(3-bromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189194
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
3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 114376051
3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol
CID 65188287
3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
CID 65186275

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol?
The IUPAC name of 3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol (CID 65186386) is 3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol?
The canonical SMILES for 3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol is NCC(c1ccccc1)C(O)c1ccc(Br)cc1F.
What is the InChIKey of 3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol?
The InChIKey is QEWNSABJZRSFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c16-11-6-7-12(14(17)8-11)15(19)13(9-18)10-4-2-1-3-5-10/h1-8,13,15,19H,9,18H2.
What are the key properties of 3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol?
3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol has a molecular weight of 324.19 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol is sourced from PubChem (CID 65186386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).