4-(aminomethyl)-2-bromo-N,N-dimethylaniline

C9H13BrN2 — CID 82795005

IUPAC4-(aminomethyl)-2-bromo-N,N-dimethylaniline
SMILESCN(C)c1ccc(CN)cc1Br
InChIInChI=1S/C9H13BrN2/c1-12(2)9-4-3-7(6-11)5-8(9)10/h3-5H,6,11H2,1-2H3
InChIKeyACFNFJWCIIRIKU-UHFFFAOYSA-N
MW229.12 g/mol
LogP1.97
Rot. Bonds2

About 4-(aminomethyl)-2-bromo-N,N-dimethylaniline

4-(aminomethyl)-2-bromo-N,N-dimethylaniline (PubChem CID 82795005) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 4-(aminomethyl)-2-bromo-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-bromo-N,N-dimethylaniline
PubChem CID82795005
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name4-(aminomethyl)-2-bromo-N,N-dimethylaniline
SMILESCN(C)c1ccc(CN)cc1Br
InChIInChI=1S/C9H13BrN2/c1-12(2)9-4-3-7(6-11)5-8(9)10/h3-5H,6,11H2,1-2H3
InChIKeyACFNFJWCIIRIKU-UHFFFAOYSA-N
XLogP1.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(aminomethyl)-2-bromo-N-methylanilino]ethanol
CID 82794580
4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline
CID 82795159
4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline
CID 103871280
4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 82794707
4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline
CID 82793395
4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 82793405
4-(aminomethyl)-N,N-dibenzyl-2-bromoaniline
CID 130164745
4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline
CID 82794328
N-[4-(aminomethyl)-2-bromophenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 82794465
[4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride
CID 162330321
4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline
CID 82793403
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-bromo-N,N-dimethylaniline?
The IUPAC name of 4-(aminomethyl)-2-bromo-N,N-dimethylaniline (CID 82795005) is 4-(aminomethyl)-2-bromo-N,N-dimethylaniline.
What is the SMILES notation for 4-(aminomethyl)-2-bromo-N,N-dimethylaniline?
The canonical SMILES for 4-(aminomethyl)-2-bromo-N,N-dimethylaniline is CN(C)c1ccc(CN)cc1Br.
What is the InChIKey of 4-(aminomethyl)-2-bromo-N,N-dimethylaniline?
The InChIKey is ACFNFJWCIIRIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-12(2)9-4-3-7(6-11)5-8(9)10/h3-5H,6,11H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-bromo-N,N-dimethylaniline?
4-(aminomethyl)-2-bromo-N,N-dimethylaniline has a molecular weight of 229.12 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-bromo-N,N-dimethylaniline is sourced from PubChem (CID 82795005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).