3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol

C16H17BrFNO — CID 65188336

IUPAC3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol
SMILESCc1ccc(F)c(C(O)C(CN)c2cccc(Br)c2)c1
InChIInChI=1S/C16H17BrFNO/c1-10-5-6-15(18)13(7-10)16(20)14(9-19)11-3-2-4-12(17)8-11/h2-8,14,16,20H,9,19H2,1H3
InChIKeyNGBARWVHKPKSBL-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.67
Rot. Bonds4

About 3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol

3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol (PubChem CID 65188336) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol
PubChem CID65188336
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol
SMILESCc1ccc(F)c(C(O)C(CN)c2cccc(Br)c2)c1
InChIInChI=1S/C16H17BrFNO/c1-10-5-6-15(18)13(7-10)16(20)14(9-19)11-3-2-4-12(17)8-11/h2-8,14,16,20H,9,19H2,1H3
InChIKeyNGBARWVHKPKSBL-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-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol
CID 65188081
3-amino-1-(2-fluoro-5-methylphenyl)-2-(3-methoxyphenyl)propan-1-ol
CID 65189256
3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol
CID 65188287
3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65187606
3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol
CID 114376075
3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190697
3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 107994915
3-amino-2-(3-bromophenyl)-1-(3-chloro-2-methylphenyl)propan-1-ol
CID 107100509
3-amino-1-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65309425
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
CID 65187815
3-amino-1-(2-bromo-5-methylphenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 81116828
3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol
CID 65187873

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol (CID 65188336) is 3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol is Cc1ccc(F)c(C(O)C(CN)c2cccc(Br)c2)c1.
What is the InChIKey of 3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol?
The InChIKey is NGBARWVHKPKSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-10-5-6-15(18)13(7-10)16(20)14(9-19)11-3-2-4-12(17)8-11/h2-8,14,16,20H,9,19H2,1H3.
What are the key properties of 3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol?
3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-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-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 65188336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).