3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline

C13H21BrN2 — CID 102813478

IUPAC3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)N(C)c1cc(Br)cc(CN)c1
InChIInChI=1S/C13H21BrN2/c1-9(2)10(3)16(4)13-6-11(8-15)5-12(14)7-13/h5-7,9-10H,8,15H2,1-4H3
InChIKeyVGJPQLSGUWNSLO-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.39
Rot. Bonds4

About 3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline

3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline (PubChem CID 102813478) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline
PubChem CID102813478
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)N(C)c1cc(Br)cc(CN)c1
InChIInChI=1S/C13H21BrN2/c1-9(2)10(3)16(4)13-6-11(8-15)5-12(14)7-13/h5-7,9-10H,8,15H2,1-4H3
InChIKeyVGJPQLSGUWNSLO-UHFFFAOYSA-N
XLogP3.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 102813782
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 102813927
4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 43569588
3-bromo-5-[methyl(3-methylbutan-2-yl)amino]benzonitrile
CID 102815417
N-[3-(aminomethyl)-5-bromophenyl]-N-methyloxan-4-amine
CID 102813550
3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 102814033
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
3-(aminomethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline
CID 102814030
3-(aminomethyl)-5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 102813654
3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline
CID 102813482
6-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-3-amine
CID 115486870

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline (CID 102813478) is 3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline is CC(C)C(C)N(C)c1cc(Br)cc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline?
The InChIKey is VGJPQLSGUWNSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-9(2)10(3)16(4)13-6-11(8-15)5-12(14)7-13/h5-7,9-10H,8,15H2,1-4H3.
What are the key properties of 3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline?
3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline has a molecular weight of 285.23 g/mol, XLogP of 3.39, 4 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-methyl-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 102813478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).