N-[(4-bromophenyl)methyl]-1-phenylmethanamine

C14H14BrN — CID 3876431

IUPACN-[(4-bromophenyl)methyl]-1-phenylmethanamine
SMILESBrc1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C14H14BrN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
InChIKeyQXBYDLUZMIWCRP-UHFFFAOYSA-N
MW276.18 g/mol
LogP3.74
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-1-phenylmethanamine

N-[(4-bromophenyl)methyl]-1-phenylmethanamine (PubChem CID 3876431) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-phenylmethanamine
PubChem CID3876431
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC NameN-[(4-bromophenyl)methyl]-1-phenylmethanamine
SMILESBrc1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C14H14BrN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
InChIKeyQXBYDLUZMIWCRP-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-phenylmethanamine (CID 3876431) is N-[(4-bromophenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-phenylmethanamine is Brc1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-phenylmethanamine?
The InChIKey is QXBYDLUZMIWCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2.
What are the key properties of N-[(4-bromophenyl)methyl]-1-phenylmethanamine?
N-[(4-bromophenyl)methyl]-1-phenylmethanamine has a molecular weight of 276.18 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 3876431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).