N-[(3-bromophenyl)methyl]-1-phenylmethanamine

C14H14BrN — CID 2756617

IUPACN-[(3-bromophenyl)methyl]-1-phenylmethanamine
SMILESBrc1cccc(CNCc2ccccc2)c1
InChIInChI=1S/C14H14BrN/c15-14-8-4-7-13(9-14)11-16-10-12-5-2-1-3-6-12/h1-9,16H,10-11H2
InChIKeyPVXFHGJZYYWYQI-UHFFFAOYSA-N
MW276.18 g/mol
LogP3.74
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-1-phenylmethanamine

N-[(3-bromophenyl)methyl]-1-phenylmethanamine (PubChem CID 2756617) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-phenylmethanamine
PubChem CID2756617
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC NameN-[(3-bromophenyl)methyl]-1-phenylmethanamine
SMILESBrc1cccc(CNCc2ccccc2)c1
InChIInChI=1S/C14H14BrN/c15-14-8-4-7-13(9-14)11-16-10-12-5-2-1-3-6-12/h1-9,16H,10-11H2
InChIKeyPVXFHGJZYYWYQI-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-[(3-bromophenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-phenylmethanamine (CID 2756617) is N-[(3-bromophenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-phenylmethanamine is Brc1cccc(CNCc2ccccc2)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-phenylmethanamine?
The InChIKey is PVXFHGJZYYWYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c15-14-8-4-7-13(9-14)11-16-10-12-5-2-1-3-6-12/h1-9,16H,10-11H2.
What are the key properties of N-[(3-bromophenyl)methyl]-1-phenylmethanamine?
N-[(3-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-[(3-bromophenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 2756617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).