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

C16H17BrFN — CID 79702900

IUPAC1-(3-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(C(C)(N)Cc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C16H17BrFN/c1-11-4-3-5-13(6-11)16(2,19)10-12-7-14(17)9-15(18)8-12/h3-9H,10,19H2,1-2H3
InChIKeyVQEIEBNFBRRDTK-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.31
Rot. Bonds3

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

1-(3-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-2-amine (PubChem CID 79702900) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-2-amine
PubChem CID79702900
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(C(C)(N)Cc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C16H17BrFN/c1-11-4-3-5-13(6-11)16(2,19)10-12-7-14(17)9-15(18)8-12/h3-9H,10,19H2,1-2H3
InChIKeyVQEIEBNFBRRDTK-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-2-amine (CID 79702900) is 1-(3-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-2-amine is Cc1cccc(C(C)(N)Cc2cc(F)cc(Br)c2)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-2-amine?
The InChIKey is VQEIEBNFBRRDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-11-4-3-5-13(6-11)16(2,19)10-12-7-14(17)9-15(18)8-12/h3-9H,10,19H2,1-2H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-2-amine?
1-(3-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-2-amine has a molecular weight of 322.22 g/mol, XLogP of 4.31, 3 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)-2-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 79702900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).