1-[4-(2-bromophenyl)phenyl]-N-methylmethanamine

C14H14BrN — CID 115503542

IUPAC1-[4-(2-bromophenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccccc2Br)cc1
InChIInChI=1S/C14H14BrN/c1-16-10-11-6-8-12(9-7-11)13-4-2-3-5-14(13)15/h2-9,16H,10H2,1H3
InChIKeyVHFIMYXTYYQVTL-UHFFFAOYSA-N
MW276.18 g/mol
LogP3.84
Rot. Bonds3

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

1-[4-(2-bromophenyl)phenyl]-N-methylmethanamine (PubChem CID 115503542) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is 1-[4-(2-bromophenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-bromophenyl)phenyl]-N-methylmethanamine
PubChem CID115503542
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC Name1-[4-(2-bromophenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccccc2Br)cc1
InChIInChI=1S/C14H14BrN/c1-16-10-11-6-8-12(9-7-11)13-4-2-3-5-14(13)15/h2-9,16H,10H2,1H3
InChIKeyVHFIMYXTYYQVTL-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 53.84
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-methylmethanamine?
The IUPAC name of 1-[4-(2-bromophenyl)phenyl]-N-methylmethanamine (CID 115503542) is 1-[4-(2-bromophenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-bromophenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-bromophenyl)phenyl]-N-methylmethanamine is CNCc1ccc(-c2ccccc2Br)cc1.
What is the InChIKey of 1-[4-(2-bromophenyl)phenyl]-N-methylmethanamine?
The InChIKey is VHFIMYXTYYQVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c1-16-10-11-6-8-12(9-7-11)13-4-2-3-5-14(13)15/h2-9,16H,10H2,1H3.
What are the key properties of 1-[4-(2-bromophenyl)phenyl]-N-methylmethanamine?
1-[4-(2-bromophenyl)phenyl]-N-methylmethanamine has a molecular weight of 276.18 g/mol, XLogP of 3.84, 3 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-methylmethanamine is sourced from PubChem (CID 115503542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).