N-[(4-bromophenyl)methyl]-N-methylaniline

C14H14BrN — CID 60644874

IUPACN-[(4-bromophenyl)methyl]-N-methylaniline
SMILESCN(Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H14BrN/c1-16(14-5-3-2-4-6-14)11-12-7-9-13(15)10-8-12/h2-10H,11H2,1H3
InChIKeyCCCWJADWFNNWEM-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.09
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-N-methylaniline

N-[(4-bromophenyl)methyl]-N-methylaniline (PubChem CID 60644874) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methylaniline
PubChem CID60644874
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC NameN-[(4-bromophenyl)methyl]-N-methylaniline
SMILESCN(Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H14BrN/c1-16(14-5-3-2-4-6-14)11-12-7-9-13(15)10-8-12/h2-10H,11H2,1H3
InChIKeyCCCWJADWFNNWEM-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methylaniline?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methylaniline (CID 60644874) is N-[(4-bromophenyl)methyl]-N-methylaniline.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methylaniline?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methylaniline is CN(Cc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methylaniline?
The InChIKey is CCCWJADWFNNWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c1-16(14-5-3-2-4-6-14)11-12-7-9-13(15)10-8-12/h2-10H,11H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methylaniline?
N-[(4-bromophenyl)methyl]-N-methylaniline has a molecular weight of 276.18 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 60644874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).