3-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline

C15H23BrN2 — CID 114069158

IUPAC3-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline
SMILESCNC(C)c1ccc(N(C)CC2CC2C)cc1Br
InChIInChI=1S/C15H23BrN2/c1-10-7-12(10)9-18(4)13-5-6-14(11(2)17-3)15(16)8-13/h5-6,8,10-12,17H,7,9H2,1-4H3
InChIKeyBZQUJYNDGPRUEO-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.82
Rot. Bonds5

About 3-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline

3-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline (PubChem CID 114069158) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 3-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline.

Molecular Properties

Compound Name3-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline
PubChem CID114069158
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name3-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline
SMILESCNC(C)c1ccc(N(C)CC2CC2C)cc1Br
InChIInChI=1S/C15H23BrN2/c1-10-7-12(10)9-18(4)13-5-6-14(11(2)17-3)15(16)8-13/h5-6,8,10-12,17H,7,9H2,1-4H3
InChIKeyBZQUJYNDGPRUEO-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 3-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]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

3-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-(2-methylpropyl)aniline
CID 114068929
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline
CID 63864988
5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[1-(propylamino)ethyl]aniline
CID 82968453
1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol
CID 63866230
1-[2-bromo-4-[cyclopentylmethyl(methyl)amino]phenyl]ethanol
CID 114069779
N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 63865437
3-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-prop-2-enylaniline
CID 114069204
2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine
CID 63879607
4-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 114066213
1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63866126
2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarbothioamide
CID 81277385
4-(2-aminoethyl)-3-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 114064873

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline?
The IUPAC name of 3-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline (CID 114069158) is 3-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline.
What is the SMILES notation for 3-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline?
The canonical SMILES for 3-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline is CNC(C)c1ccc(N(C)CC2CC2C)cc1Br.
What is the InChIKey of 3-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline?
The InChIKey is BZQUJYNDGPRUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-10-7-12(10)9-18(4)13-5-6-14(11(2)17-3)15(16)8-13/h5-6,8,10-12,17H,7,9H2,1-4H3.
What are the key properties of 3-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline?
3-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline has a molecular weight of 311.27 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline is sourced from PubChem (CID 114069158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).