4-(bromomethyl)-2-chloro-N-(2,2-dimethylpropyl)-N-methylaniline

C13H19BrClN — CID 107082384

IUPAC4-(bromomethyl)-2-chloro-N-(2,2-dimethylpropyl)-N-methylaniline
SMILESCN(CC(C)(C)C)c1ccc(CBr)cc1Cl
InChIInChI=1S/C13H19BrClN/c1-13(2,3)9-16(4)12-6-5-10(8-14)7-11(12)15/h5-7H,8-9H2,1-4H3
InChIKeyWGPACXRERCDOKS-UHFFFAOYSA-N
MW304.66 g/mol
LogP4.72
Rot. Bonds3

About 4-(bromomethyl)-2-chloro-N-(2,2-dimethylpropyl)-N-methylaniline

4-(bromomethyl)-2-chloro-N-(2,2-dimethylpropyl)-N-methylaniline (PubChem CID 107082384) has the molecular formula C13H19BrClN and a molecular weight of 304.66 g/mol. Its IUPAC name is 4-(bromomethyl)-2-chloro-N-(2,2-dimethylpropyl)-N-methylaniline.

Molecular Properties

Compound Name4-(bromomethyl)-2-chloro-N-(2,2-dimethylpropyl)-N-methylaniline
PubChem CID107082384
Molecular FormulaC13H19BrClN
Molecular Weight304.66 g/mol
Exact Mass303.04
IUPAC Name4-(bromomethyl)-2-chloro-N-(2,2-dimethylpropyl)-N-methylaniline
SMILESCN(CC(C)(C)C)c1ccc(CBr)cc1Cl
InChIInChI=1S/C13H19BrClN/c1-13(2,3)9-16(4)12-6-5-10(8-14)7-11(12)15/h5-7H,8-9H2,1-4H3
InChIKeyWGPACXRERCDOKS-UHFFFAOYSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 54.72
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

3-[4-(bromomethyl)-2-chloro-N-methylanilino]propanenitrile
CID 107079503
4-(bromomethyl)-2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 107083773
4-(bromomethyl)-2-chloro-N-(cyclobutylmethyl)-N-methylaniline
CID 107082869
4-(bromomethyl)-2-chloro-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 107084497
4-(bromomethyl)-2-chloro-N,N-diethylaniline
CID 107078904
4-(bromomethyl)-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 107082262
3-[[4-(bromomethyl)-2-chloro-N-methylanilino]methyl]benzonitrile
CID 107083014
N-[4-(bromomethyl)-2-chlorophenyl]-N-ethyl-2,2-dimethylpropanamide
CID 123843144
2-(bromomethyl)-N-(2,2-dimethylpropyl)-4-fluoro-N-methylaniline
CID 107082376
4-(bromomethyl)-2-chloro-N,N-bis(3-methylbutyl)aniline
CID 107870469
4-(bromomethyl)-2-chloro-N,N-dimethylbenzenesulfonamide
CID 135318888
[5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol
CID 114845501

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-chloro-N-(2,2-dimethylpropyl)-N-methylaniline?
The IUPAC name of 4-(bromomethyl)-2-chloro-N-(2,2-dimethylpropyl)-N-methylaniline (CID 107082384) is 4-(bromomethyl)-2-chloro-N-(2,2-dimethylpropyl)-N-methylaniline.
What is the SMILES notation for 4-(bromomethyl)-2-chloro-N-(2,2-dimethylpropyl)-N-methylaniline?
The canonical SMILES for 4-(bromomethyl)-2-chloro-N-(2,2-dimethylpropyl)-N-methylaniline is CN(CC(C)(C)C)c1ccc(CBr)cc1Cl.
What is the InChIKey of 4-(bromomethyl)-2-chloro-N-(2,2-dimethylpropyl)-N-methylaniline?
The InChIKey is WGPACXRERCDOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClN/c1-13(2,3)9-16(4)12-6-5-10(8-14)7-11(12)15/h5-7H,8-9H2,1-4H3.
What are the key properties of 4-(bromomethyl)-2-chloro-N-(2,2-dimethylpropyl)-N-methylaniline?
4-(bromomethyl)-2-chloro-N-(2,2-dimethylpropyl)-N-methylaniline has a molecular weight of 304.66 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-chloro-N-(2,2-dimethylpropyl)-N-methylaniline is sourced from PubChem (CID 107082384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).