4-(bromomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline

C14H22BrN — CID 107083824

IUPAC4-(bromomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline
SMILESCCC(C)(C)N(C)c1ccc(CBr)c(C)c1
InChIInChI=1S/C14H22BrN/c1-6-14(3,4)16(5)13-8-7-12(10-15)11(2)9-13/h7-9H,6,10H2,1-5H3
InChIKeyCXGYDZJXXMUGKT-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.51
Rot. Bonds4

About 4-(bromomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline

4-(bromomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline (PubChem CID 107083824) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 4-(bromomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-(bromomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline
PubChem CID107083824
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name4-(bromomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline
SMILESCCC(C)(C)N(C)c1ccc(CBr)c(C)c1
InChIInChI=1S/C14H22BrN/c1-6-14(3,4)16(5)13-8-7-12(10-15)11(2)9-13/h7-9H,6,10H2,1-5H3
InChIKeyCXGYDZJXXMUGKT-UHFFFAOYSA-N
XLogP4.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.51
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

4-(aminomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline
CID 63965313
4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline
CID 63965092
4-(bromomethyl)-N,3-dimethyl-N-(2-methylbutyl)aniline
CID 107080150
2-methyl-4-[methyl(2-methylbutan-2-yl)amino]benzonitrile
CID 81281924
2-methyl-4-[methyl(2-methylbutan-2-yl)amino]benzenecarbothioamide
CID 81277988
N'-[4-(bromomethyl)-3-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 107083669
4-(bromomethyl)-N-ethyl-3-methyl-N-(2-methylbutyl)aniline
CID 107084418
2-[4-(bromomethyl)-N-(cyanomethyl)-3-methylanilino]acetonitrile
CID 107079200
4-(bromomethyl)-N-cyclopentyl-N-ethyl-3-methylaniline
CID 107080258
3-methyl-3-(N,3,4-trimethylanilino)butan-1-ol
CID 115133914
4-(bromomethyl)-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107082286
3-iodo-N-methyl-N-(2-methylbutan-2-yl)-4-nitroaniline
CID 106494493

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline?
The IUPAC name of 4-(bromomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline (CID 107083824) is 4-(bromomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline.
What is the SMILES notation for 4-(bromomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline?
The canonical SMILES for 4-(bromomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline is CCC(C)(C)N(C)c1ccc(CBr)c(C)c1.
What is the InChIKey of 4-(bromomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline?
The InChIKey is CXGYDZJXXMUGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-6-14(3,4)16(5)13-8-7-12(10-15)11(2)9-13/h7-9H,6,10H2,1-5H3.
What are the key properties of 4-(bromomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline?
4-(bromomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline has a molecular weight of 284.24 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline is sourced from PubChem (CID 107083824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).