1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine

C16H17BrFN — CID 79708482

IUPAC1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(N)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H17BrFN/c1-11-4-2-3-5-13(11)9-16(19)8-12-6-14(17)10-15(18)7-12/h2-7,10,16H,8-9,19H2,1H3
InChIKeyJNZKKJUEDXCZTE-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.01
Rot. Bonds4

About 1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine

1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine (PubChem CID 79708482) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
PubChem CID79708482
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(N)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H17BrFN/c1-11-4-2-3-5-13(11)9-16(19)8-12-6-14(17)10-15(18)7-12/h2-7,10,16H,8-9,19H2,1H3
InChIKeyJNZKKJUEDXCZTE-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
1-(3-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 79709615
1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 79708487
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115822786
2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine
CID 105015800
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 102618765
1-(3-bromo-5-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 105169372
1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 79709715
3-(3-bromo-5-fluorophenyl)-2-(2-methylphenyl)propanoic acid
CID 79701593
1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
CID 62720947
1-(3-bromo-5-fluorophenyl)pent-4-en-2-amine
CID 116660348

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine (CID 79708482) is 1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine is Cc1ccccc1CC(N)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine?
The InChIKey is JNZKKJUEDXCZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-11-4-2-3-5-13(11)9-16(19)8-12-6-14(17)10-15(18)7-12/h2-7,10,16H,8-9,19H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine?
1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine has a molecular weight of 322.22 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 79708482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).