1-bromo-4-phenylbenzene;N-methylmethanamine

C14H16BrN — CID 66862098

IUPAC1-bromo-4-phenylbenzene;N-methylmethanamine
SMILESBrc1ccc(-c2ccccc2)cc1.CNC
InChIInChI=1S/C12H9Br.C2H7N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-3-2/h1-9H;3H,1-2H3
InChIKeyMPZQEHBGVCDUBT-UHFFFAOYSA-N
MW278.19 g/mol
LogP3.95
Rot. Bonds1

About 1-bromo-4-phenylbenzene;N-methylmethanamine

1-bromo-4-phenylbenzene;N-methylmethanamine (PubChem CID 66862098) has the molecular formula C14H16BrN and a molecular weight of 278.19 g/mol. Its IUPAC name is 1-bromo-4-phenylbenzene;N-methylmethanamine.

Molecular Properties

Compound Name1-bromo-4-phenylbenzene;N-methylmethanamine
PubChem CID66862098
Molecular FormulaC14H16BrN
Molecular Weight278.19 g/mol
Exact Mass277.05
IUPAC Name1-bromo-4-phenylbenzene;N-methylmethanamine
SMILESBrc1ccc(-c2ccccc2)cc1.CNC
InChIInChI=1S/C12H9Br.C2H7N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-3-2/h1-9H;3H,1-2H3
InChIKeyMPZQEHBGVCDUBT-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-phenylbenzene;N-methylmethanamine?
The IUPAC name of 1-bromo-4-phenylbenzene;N-methylmethanamine (CID 66862098) is 1-bromo-4-phenylbenzene;N-methylmethanamine.
What is the SMILES notation for 1-bromo-4-phenylbenzene;N-methylmethanamine?
The canonical SMILES for 1-bromo-4-phenylbenzene;N-methylmethanamine is Brc1ccc(-c2ccccc2)cc1.CNC.
What is the InChIKey of 1-bromo-4-phenylbenzene;N-methylmethanamine?
The InChIKey is MPZQEHBGVCDUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br.C2H7N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-3-2/h1-9H;3H,1-2H3.
What are the key properties of 1-bromo-4-phenylbenzene;N-methylmethanamine?
1-bromo-4-phenylbenzene;N-methylmethanamine has a molecular weight of 278.19 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-phenylbenzene;N-methylmethanamine is sourced from PubChem (CID 66862098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).