4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline

C13H21BrN2 — CID 62908844

IUPAC4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline
SMILESCCC(C)N(C)c1ccc(C(C)N)cc1Br
InChIInChI=1S/C13H21BrN2/c1-5-9(2)16(4)13-7-6-11(10(3)15)8-12(13)14/h6-10H,5,15H2,1-4H3
InChIKeyCMFSMZURZSJUCT-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.70
Rot. Bonds4

About 4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline

4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline (PubChem CID 62908844) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline
PubChem CID62908844
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline
SMILESCCC(C)N(C)c1ccc(C(C)N)cc1Br
InChIInChI=1S/C13H21BrN2/c1-5-9(2)16(4)13-7-6-11(10(3)15)8-12(13)14/h6-10H,5,15H2,1-4H3
InChIKeyCMFSMZURZSJUCT-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline 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-[(1R)-1-aminoethyl]-2-bromo-N-butan-2-yl-N-butylaniline
CID 78944493
4-(1-aminoethyl)-2-bromo-N,N-diethylaniline
CID 62909492
4-[(1S)-1-aminoethyl]-2-bromo-N,N-diethylaniline
CID 63368146
2-N-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189362
4-(1-aminoethyl)-2-bromo-N-ethyl-N-(2-methylbutyl)aniline
CID 79476860
4-[(1S)-1-aminoethyl]-2-bromo-N-ethyl-N-(2-methylbutyl)aniline
CID 79477246
2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol
CID 62909377
4-[(1S)-1-aminoethyl]-2-bromo-N-(2,2-difluoroethyl)-N-methylaniline
CID 104870977
N'-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694904
N'-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994147
4-[(1S)-1-aminoethyl]-2-bromo-N-(2-ethoxyethyl)-N-methylaniline
CID 81055137
4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-phenylaniline
CID 63368025

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline?
The IUPAC name of 4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline (CID 62908844) is 4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline.
What is the SMILES notation for 4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline?
The canonical SMILES for 4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline is CCC(C)N(C)c1ccc(C(C)N)cc1Br.
What is the InChIKey of 4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline?
The InChIKey is CMFSMZURZSJUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-5-9(2)16(4)13-7-6-11(10(3)15)8-12(13)14/h6-10H,5,15H2,1-4H3.
What are the key properties of 4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline?
4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline has a molecular weight of 285.23 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline is sourced from PubChem (CID 62908844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).