2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline

C12H17BrN2 — CID 43264393

IUPAC2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline
SMILESCCN(c1cc(Br)ccc1CN)C1CC1
InChIInChI=1S/C12H17BrN2/c1-2-15(11-5-6-11)12-7-10(13)4-3-9(12)8-14/h3-4,7,11H,2,5-6,8,14H2,1H3
InChIKeyNSWGXAMOEXOOCF-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.90
Rot. Bonds4

About 2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline

2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline (PubChem CID 43264393) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline
PubChem CID43264393
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline
SMILESCCN(c1cc(Br)ccc1CN)C1CC1
InChIInChI=1S/C12H17BrN2/c1-2-15(11-5-6-11)12-7-10(13)4-3-9(12)8-14/h3-4,7,11H,2,5-6,8,14H2,1H3
InChIKeyNSWGXAMOEXOOCF-UHFFFAOYSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-5-bromo-N-cyclopropyl-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

2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 55001986
2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline
CID 62307923
4-bromo-2-N-cyclopropyl-2-N-ethylbenzene-1,2-diamine
CID 65343619
5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline
CID 43280941
5-bromo-2-(chloromethyl)-N-cyclopropyl-N-propylaniline
CID 43270621
2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline
CID 63784972
2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline
CID 43268985
[4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol
CID 61445229
4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde
CID 43541309
2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol
CID 102631472
2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008972
5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline
CID 63550990

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline?
The IUPAC name of 2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline (CID 43264393) is 2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline.
What is the SMILES notation for 2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline?
The canonical SMILES for 2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline is CCN(c1cc(Br)ccc1CN)C1CC1.
What is the InChIKey of 2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline?
The InChIKey is NSWGXAMOEXOOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-2-15(11-5-6-11)12-7-10(13)4-3-9(12)8-14/h3-4,7,11H,2,5-6,8,14H2,1H3.
What are the key properties of 2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline?
2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline has a molecular weight of 269.19 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline is sourced from PubChem (CID 43264393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).