2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline

C13H21BrN2 — CID 114879435

IUPAC2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline
SMILESCCCCN(CC)c1cccc(Br)c1CN
InChIInChI=1S/C13H21BrN2/c1-3-5-9-16(4-2)13-8-6-7-12(14)11(13)10-15/h6-8H,3-5,9-10,15H2,1-2H3
InChIKeyQGURHXKTQQEHOQ-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.53
Rot. Bonds6

About 2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline

2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline (PubChem CID 114879435) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline
PubChem CID114879435
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline
SMILESCCCCN(CC)c1cccc(Br)c1CN
InChIInChI=1S/C13H21BrN2/c1-3-5-9-16(4-2)13-8-6-7-12(14)11(13)10-15/h6-8H,3-5,9-10,15H2,1-2H3
InChIKeyQGURHXKTQQEHOQ-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

2-[2-(aminomethyl)-3-bromo-N-butylanilino]acetamide
CID 114879596
2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide
CID 114879565
3-[butyl(ethyl)amino]-2-methylphenol
CID 57208066
N'-[2-(aminomethyl)-3-ethylsulfanylphenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991324
2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 56604751
2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol
CID 107478448
2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline
CID 114879429
2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline
CID 63782694
2-[butyl(ethyl)amino]-6-chlorobenzenecarbothioamide
CID 62500932
2-(2-aminobutyl)-N-butyl-N-ethylaniline
CID 63785761
2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline
CID 114879451
N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine
CID 28772955

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline?
The IUPAC name of 2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline (CID 114879435) is 2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline.
What is the SMILES notation for 2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline?
The canonical SMILES for 2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline is CCCCN(CC)c1cccc(Br)c1CN.
What is the InChIKey of 2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline?
The InChIKey is QGURHXKTQQEHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-3-5-9-16(4-2)13-8-6-7-12(14)11(13)10-15/h6-8H,3-5,9-10,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline?
2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline has a molecular weight of 285.23 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline is sourced from PubChem (CID 114879435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).