4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)aniline

C15H25BrN2 — CID 114061769

IUPAC4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)aniline
SMILESCCNCc1cc(Br)ccc1N(C)CCC(C)C
InChIInChI=1S/C15H25BrN2/c1-5-17-11-13-10-14(16)6-7-15(13)18(4)9-8-12(2)3/h6-7,10,12,17H,5,8-9,11H2,1-4H3
InChIKeyDNTHJBPSLJNMPR-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.04
Rot. Bonds7

About 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)aniline

4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)aniline (PubChem CID 114061769) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)aniline.

Molecular Properties

Compound Name4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)aniline
PubChem CID114061769
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)aniline
SMILESCCNCc1cc(Br)ccc1N(C)CCC(C)C
InChIInChI=1S/C15H25BrN2/c1-5-17-11-13-10-14(16)6-7-15(13)18(4)9-8-12(2)3/h6-7,10,12,17H,5,8-9,11H2,1-4H3
InChIKeyDNTHJBPSLJNMPR-UHFFFAOYSA-N
XLogP4.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)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

4-bromo-2-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)aniline
CID 114061749
4-bromo-2-[methyl(3-methylbutyl)amino]benzaldehyde
CID 61428831
4-[2-bromo-4-(ethylaminomethyl)-N-methylanilino]butan-2-ol
CID 114062857
4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
CID 114848022
2-[4-bromo-2-[(tert-butylamino)methyl]-N-methylanilino]ethanol
CID 114061761
2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281923
2-(bromomethyl)-4-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 107081165
4-bromo-N'-hydroxy-2-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 114903945
[5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol
CID 114845343
N,4-dimethyl-2-[(2-methylpropylamino)methyl]-N-propylaniline
CID 114054951
5-bromo-N-(2-methoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 55146082
5-bromo-N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)aniline
CID 112662299

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)aniline?
The IUPAC name of 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)aniline (CID 114061769) is 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)aniline.
What is the SMILES notation for 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)aniline?
The canonical SMILES for 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)aniline is CCNCc1cc(Br)ccc1N(C)CCC(C)C.
What is the InChIKey of 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)aniline?
The InChIKey is DNTHJBPSLJNMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-5-17-11-13-10-14(16)6-7-15(13)18(4)9-8-12(2)3/h6-7,10,12,17H,5,8-9,11H2,1-4H3.
What are the key properties of 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)aniline?
4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)aniline has a molecular weight of 313.28 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)aniline is sourced from PubChem (CID 114061769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).