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

C16H17BrFN — CID 79416738

IUPAC3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(CN)Cc2cc(F)ccc2Br)c1
InChIInChI=1S/C16H17BrFN/c1-11-3-2-4-12(7-11)14(10-19)8-13-9-15(18)5-6-16(13)17/h2-7,9,14H,8,10,19H2,1H3
InChIKeyKGOUEYPGIARKRI-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.18
Rot. Bonds4

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

3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine (PubChem CID 79416738) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
PubChem CID79416738
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(CN)Cc2cc(F)ccc2Br)c1
InChIInChI=1S/C16H17BrFN/c1-11-3-2-4-12(7-11)14(10-19)8-13-9-15(18)5-6-16(13)17/h2-7,9,14H,8,10,19H2,1H3
InChIKeyKGOUEYPGIARKRI-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416745
3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422309
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propan-1-amine
CID 79440611
3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 114933703
2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine
CID 105375007
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81360440
3-(5-bromo-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
CID 79440610
3-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)propan-1-ol
CID 105375965
3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79416744
1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol
CID 105088452
[1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105297114
3-(2,4-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 79417400

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine (CID 79416738) is 3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine is Cc1cccc(C(CN)Cc2cc(F)ccc2Br)c1.
What is the InChIKey of 3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine?
The InChIKey is KGOUEYPGIARKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-11-3-2-4-12(7-11)14(10-19)8-13-9-15(18)5-6-16(13)17/h2-7,9,14H,8,10,19H2,1H3.
What are the key properties of 3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine?
3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine has a molecular weight of 322.22 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 79416738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).