3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline

C14H23BrN2 — CID 102813782

IUPAC3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
SMILESCC(N(C)c1cc(Br)cc(CN)c1)C(C)(C)C
InChIInChI=1S/C14H23BrN2/c1-10(14(2,3)4)17(5)13-7-11(9-16)6-12(15)8-13/h6-8,10H,9,16H2,1-5H3
InChIKeyWWUXNCOADOKEFQ-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.78
Rot. Bonds3

About 3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline

3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline (PubChem CID 102813782) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
PubChem CID102813782
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
SMILESCC(N(C)c1cc(Br)cc(CN)c1)C(C)(C)C
InChIInChI=1S/C14H23BrN2/c1-10(14(2,3)4)17(5)13-7-11(9-16)6-12(15)8-13/h6-8,10H,9,16H2,1-5H3
InChIKeyWWUXNCOADOKEFQ-UHFFFAOYSA-N
XLogP3.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 102813478
3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 102814033
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 102813927
N-[3-(aminomethyl)-5-bromophenyl]-N-methyloxan-4-amine
CID 102813550
4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,3-dimethylaniline
CID 62129455
4-(bromomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 107082142
2-[3-(aminomethyl)-5-bromo-N-methylanilino]-N,N-dimethylacetamide
CID 102813441
3-(aminomethyl)-5-bromo-N-butan-2-yl-N-(2-methoxyethyl)aniline
CID 102813754
1-[3-(aminomethyl)-5-bromophenoxy]-N,N,2-trimethylpropan-2-amine
CID 102814709
3-(aminomethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline
CID 102814030
N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 134941806
3-(aminomethyl)-5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 102813654

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline?
The IUPAC name of 3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline (CID 102813782) is 3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline.
What is the SMILES notation for 3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline?
The canonical SMILES for 3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline is CC(N(C)c1cc(Br)cc(CN)c1)C(C)(C)C.
What is the InChIKey of 3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline?
The InChIKey is WWUXNCOADOKEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-10(14(2,3)4)17(5)13-7-11(9-16)6-12(15)8-13/h6-8,10H,9,16H2,1-5H3.
What are the key properties of 3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline?
3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline has a molecular weight of 299.26 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline is sourced from PubChem (CID 102813782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).