N-benzyl-2-(bromomethyl)-N-methylaniline

C15H16BrN — CID 107079172

IUPACN-benzyl-2-(bromomethyl)-N-methylaniline
SMILESCN(Cc1ccccc1)c1ccccc1CBr
InChIInChI=1S/C15H16BrN/c1-17(12-13-7-3-2-4-8-13)15-10-6-5-9-14(15)11-16/h2-10H,11-12H2,1H3
InChIKeyHIDDTJYQUNJHAT-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.22
Rot. Bonds4

About N-benzyl-2-(bromomethyl)-N-methylaniline

N-benzyl-2-(bromomethyl)-N-methylaniline (PubChem CID 107079172) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is N-benzyl-2-(bromomethyl)-N-methylaniline.

Molecular Properties

Compound NameN-benzyl-2-(bromomethyl)-N-methylaniline
PubChem CID107079172
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC NameN-benzyl-2-(bromomethyl)-N-methylaniline
SMILESCN(Cc1ccccc1)c1ccccc1CBr
InChIInChI=1S/C15H16BrN/c1-17(12-13-7-3-2-4-8-13)15-10-6-5-9-14(15)11-16/h2-10H,11-12H2,1H3
InChIKeyHIDDTJYQUNJHAT-UHFFFAOYSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43280656
[2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol
CID 61415401
N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 63553389
2-(chloromethyl)-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 63540989
2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline
CID 114879429
N-benzyl-N,2,5-trimethylaniline
CID 15439716
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
2-(bromomethyl)-N-(4-ethylphenyl)-N-methylaniline
CID 107082514
1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine
CID 43165465
N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
CID 61411671
2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline
CID 114054593
4-(aminomethyl)-N-benzyl-N,2-dimethylaniline
CID 60929185

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(bromomethyl)-N-methylaniline?
The IUPAC name of N-benzyl-2-(bromomethyl)-N-methylaniline (CID 107079172) is N-benzyl-2-(bromomethyl)-N-methylaniline.
What is the SMILES notation for N-benzyl-2-(bromomethyl)-N-methylaniline?
The canonical SMILES for N-benzyl-2-(bromomethyl)-N-methylaniline is CN(Cc1ccccc1)c1ccccc1CBr.
What is the InChIKey of N-benzyl-2-(bromomethyl)-N-methylaniline?
The InChIKey is HIDDTJYQUNJHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-17(12-13-7-3-2-4-8-13)15-10-6-5-9-14(15)11-16/h2-10H,11-12H2,1H3.
What are the key properties of N-benzyl-2-(bromomethyl)-N-methylaniline?
N-benzyl-2-(bromomethyl)-N-methylaniline has a molecular weight of 290.20 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(bromomethyl)-N-methylaniline is sourced from PubChem (CID 107079172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).