1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine

C16H18BrN — CID 113324609

IUPAC1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2ccccc2Br)cc1
InChIInChI=1S/C16H18BrN/c1-3-16(18-2)13-10-8-12(9-11-13)14-6-4-5-7-15(14)17/h4-11,16,18H,3H2,1-2H3
InChIKeyAGGHIZRVEVMSLR-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.79
Rot. Bonds4

About 1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine

1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine (PubChem CID 113324609) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine
PubChem CID113324609
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2ccccc2Br)cc1
InChIInChI=1S/C16H18BrN/c1-3-16(18-2)13-10-8-12(9-11-13)14-6-4-5-7-15(14)17/h4-11,16,18H,3H2,1-2H3
InChIKeyAGGHIZRVEVMSLR-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine (CID 113324609) is 1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccc(-c2ccccc2Br)cc1.
What is the InChIKey of 1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine?
The InChIKey is AGGHIZRVEVMSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-3-16(18-2)13-10-8-12(9-11-13)14-6-4-5-7-15(14)17/h4-11,16,18H,3H2,1-2H3.
What are the key properties of 1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine?
1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine has a molecular weight of 304.23 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 113324609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).