3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol

C16H17BrFNO — CID 65186689

IUPAC3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(CN)c2ccc(Br)cc2)cc1F
InChIInChI=1S/C16H17BrFNO/c1-10-2-3-12(8-15(10)18)16(20)14(9-19)11-4-6-13(17)7-5-11/h2-8,14,16,20H,9,19H2,1H3
InChIKeySGNXYKIPSNPIRI-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.67
Rot. Bonds4

About 3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol

3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol (PubChem CID 65186689) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol
PubChem CID65186689
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(CN)c2ccc(Br)cc2)cc1F
InChIInChI=1S/C16H17BrFNO/c1-10-2-3-12(8-15(10)18)16(20)14(9-19)11-4-6-13(17)7-5-11/h2-8,14,16,20H,9,19H2,1H3
InChIKeySGNXYKIPSNPIRI-UHFFFAOYSA-N
XLogP3.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187891
3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186404
3-amino-1-(3,5-dibromophenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 107981150
1-(3-fluoro-4-methylphenyl)butane-1,2-diol
CID 107128649
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187886
3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185576
3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185730
1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol
CID 107130631
3-amino-1-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65309425
3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65186256
2-(5-bromo-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 55096088
3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 81308542

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol (CID 65186689) is 3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol is Cc1ccc(C(O)C(CN)c2ccc(Br)cc2)cc1F.
What is the InChIKey of 3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol?
The InChIKey is SGNXYKIPSNPIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-10-2-3-12(8-15(10)18)16(20)14(9-19)11-4-6-13(17)7-5-11/h2-8,14,16,20H,9,19H2,1H3.
What are the key properties of 3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol?
3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol has a molecular weight of 338.22 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)propan-1-ol is sourced from PubChem (CID 65186689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).