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

C13H21BrN2 — CID 102814033

IUPAC3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline
SMILESCCC(C)(C)N(C)c1cc(Br)cc(CN)c1
InChIInChI=1S/C13H21BrN2/c1-5-13(2,3)16(4)12-7-10(9-15)6-11(14)8-12/h6-8H,5,9,15H2,1-4H3
InChIKeyYALYKECDETZBOC-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.53
Rot. Bonds4

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

3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline (PubChem CID 102814033) 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-(2-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline
PubChem CID102814033
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline
SMILESCCC(C)(C)N(C)c1cc(Br)cc(CN)c1
InChIInChI=1S/C13H21BrN2/c1-5-13(2,3)16(4)12-7-10(9-15)6-11(14)8-12/h6-8H,5,9,15H2,1-4H3
InChIKeyYALYKECDETZBOC-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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-methyl-N-(3-methylbutan-2-yl)aniline
CID 102813478
2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol
CID 102814302
1-[3-(aminomethyl)-5-bromophenoxy]-N,N,2-trimethylpropan-2-amine
CID 102814709
2-[3-(aminomethyl)-5-bromo-N-methylanilino]-N,N-dimethylacetamide
CID 102813441
N-[3-(aminomethyl)-5-bromophenyl]-N-methyloxan-4-amine
CID 102813550
3-(aminomethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline
CID 102814030
3-(chloromethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 106530471
4-(aminomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline
CID 63965313
3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134633
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 102813927
3-(aminomethyl)-5-bromo-N-butan-2-yl-N-(2-methoxyethyl)aniline
CID 102813754

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline?
The IUPAC name of 3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline (CID 102814033) is 3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline.
What is the SMILES notation for 3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline?
The canonical SMILES for 3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline is CCC(C)(C)N(C)c1cc(Br)cc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline?
The InChIKey is YALYKECDETZBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-5-13(2,3)16(4)12-7-10(9-15)6-11(14)8-12/h6-8H,5,9,15H2,1-4H3.
What are the key properties of 3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline?
3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline has a molecular weight of 285.23 g/mol, XLogP of 3.53, 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-(2-methylbutan-2-yl)aniline is sourced from PubChem (CID 102814033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).