4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline

C12H19BrN2 — CID 82795159

IUPAC4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline
SMILESCCCCN(C)c1ccc(CN)cc1Br
InChIInChI=1S/C12H19BrN2/c1-3-4-7-15(2)12-6-5-10(9-14)8-11(12)13/h5-6,8H,3-4,7,9,14H2,1-2H3
InChIKeyRPGHIHVKKNJHQV-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.14
Rot. Bonds5

About 4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline

4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline (PubChem CID 82795159) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline
PubChem CID82795159
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline
SMILESCCCCN(C)c1ccc(CN)cc1Br
InChIInChI=1S/C12H19BrN2/c1-3-4-7-15(2)12-6-5-10(9-14)8-11(12)13/h5-6,8H,3-4,7,9,14H2,1-2H3
InChIKeyRPGHIHVKKNJHQV-UHFFFAOYSA-N
XLogP3.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.14
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)-N-butyl-2-fluoro-N-methylaniline
CID 28965098
2-bromo-N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 114062678
4-(aminomethyl)-2-bromo-N,N-dimethylaniline
CID 82795005
4-(aminomethyl)-N-butyl-N-methyl-2-nitroaniline
CID 98015065
3-bromo-4-[butyl(methyl)amino]benzonitrile
CID 82796941
4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 82794707
4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline
CID 103871280
4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 82793405
N'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695102
4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline
CID 82793395
4-(bromomethyl)-N,2-dimethyl-N-pentylaniline
CID 107080122

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline (CID 82795159) is 4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline is CCCCN(C)c1ccc(CN)cc1Br.
What is the InChIKey of 4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline?
The InChIKey is RPGHIHVKKNJHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-3-4-7-15(2)12-6-5-10(9-14)8-11(12)13/h5-6,8H,3-4,7,9,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline?
4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline has a molecular weight of 271.20 g/mol, XLogP of 3.14, 5 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-butyl-N-methylaniline is sourced from PubChem (CID 82795159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).