5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline

C15H23BrN2 — CID 63956035

IUPAC5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline
SMILESCCNCc1ccc(Br)cc1N(CC)CC1CC1
InChIInChI=1S/C15H23BrN2/c1-3-17-10-13-7-8-14(16)9-15(13)18(4-2)11-12-5-6-12/h7-9,12,17H,3-6,10-11H2,1-2H3
InChIKeyRLJUDUGEKWMNNT-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.79
Rot. Bonds7

About 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline

5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline (PubChem CID 63956035) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline.

Molecular Properties

Compound Name5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline
PubChem CID63956035
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline
SMILESCCNCc1ccc(Br)cc1N(CC)CC1CC1
InChIInChI=1S/C15H23BrN2/c1-3-17-10-13-7-8-14(16)9-15(13)18(4-2)11-12-5-6-12/h7-9,12,17H,3-6,10-11H2,1-2H3
InChIKeyRLJUDUGEKWMNNT-UHFFFAOYSA-N
XLogP3.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline 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

5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-ethylaniline
CID 107083804
5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline
CID 63552851
2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline
CID 107402418
5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline
CID 43280842
N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine
CID 107401789
2-[5-bromo-2-(ethylaminomethyl)-N-propylanilino]ethanol
CID 61424896
5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline
CID 43280334
2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline
CID 82967886
1-[5-bromo-2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanone
CID 82966661
2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol
CID 102864917
N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 107399877
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline
CID 63682139

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline?
The IUPAC name of 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline (CID 63956035) is 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline.
What is the SMILES notation for 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline?
The canonical SMILES for 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline is CCNCc1ccc(Br)cc1N(CC)CC1CC1.
What is the InChIKey of 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline?
The InChIKey is RLJUDUGEKWMNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-17-10-13-7-8-14(16)9-15(13)18(4-2)11-12-5-6-12/h7-9,12,17H,3-6,10-11H2,1-2H3.
What are the key properties of 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline?
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline has a molecular weight of 311.27 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline is sourced from PubChem (CID 63956035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).