4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline

C13H21BrN2 — CID 82793395

IUPAC4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline
SMILESCCC(C)N(CC)c1ccc(CN)cc1Br
InChIInChI=1S/C13H21BrN2/c1-4-10(3)16(5-2)13-7-6-11(9-15)8-12(13)14/h6-8,10H,4-5,9,15H2,1-3H3
InChIKeyOGDIEQFAVUECCH-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.53
Rot. Bonds5

About 4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline

4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline (PubChem CID 82793395) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline
PubChem CID82793395
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline
SMILESCCC(C)N(CC)c1ccc(CN)cc1Br
InChIInChI=1S/C13H21BrN2/c1-4-10(3)16(5-2)13-7-6-11(9-15)8-12(13)14/h6-8,10H,4-5,9,15H2,1-3H3
InChIKeyOGDIEQFAVUECCH-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Analyze 4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline
CID 60930401
4-(aminomethyl)-2-bromo-N,N-dimethylaniline
CID 82795005
4-(aminomethyl)-N-butan-2-yl-N-ethylaniline
CID 43274064
1-[3-bromo-4-[butan-2-yl(ethyl)amino]phenyl]ethanone
CID 62907787
2-bromo-4-(bromomethyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline
CID 114062500
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-cyclopentyl-N-ethylaniline
CID 82794328
(3-bromo-4-propan-2-ylphenyl)methanamine
CID 83840012
4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline
CID 63785303
2-[4-(aminomethyl)-2-bromo-N-methylanilino]ethanol
CID 82794580
4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline
CID 82793403

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline?
The IUPAC name of 4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline (CID 82793395) is 4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline.
What is the SMILES notation for 4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline?
The canonical SMILES for 4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline is CCC(C)N(CC)c1ccc(CN)cc1Br.
What is the InChIKey of 4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline?
The InChIKey is OGDIEQFAVUECCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-4-10(3)16(5-2)13-7-6-11(9-15)8-12(13)14/h6-8,10H,4-5,9,15H2,1-3H3.
What are the key properties of 4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline?
4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline has a molecular weight of 285.23 g/mol, XLogP of 3.53, 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-butan-2-yl-N-ethylaniline is sourced from PubChem (CID 82793395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).