4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline

C13H19BrN2 — CID 82968195

IUPAC4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline
SMILESC=CCN(C)c1ccc(Br)cc1C(C)NC
InChIInChI=1S/C13H19BrN2/c1-5-8-16(4)13-7-6-11(14)9-12(13)10(2)15-3/h5-7,9-10,15H,1,8H2,2-4H3
InChIKeyPOCULKZUEDCZRG-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.35
Rot. Bonds5

About 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline

4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline (PubChem CID 82968195) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline.

Molecular Properties

Compound Name4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline
PubChem CID82968195
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline
SMILESC=CCN(C)c1ccc(Br)cc1C(C)NC
InChIInChI=1S/C13H19BrN2/c1-5-8-16(4)13-7-6-11(14)9-12(13)10(2)15-3/h5-7,9-10,15H,1,8H2,2-4H3
InChIKeyPOCULKZUEDCZRG-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[4-bromo-N-methyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol
CID 114230292
4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82968938
4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82972503
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)aniline
CID 82968663
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-phenylaniline
CID 82972017
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 82968155
1-(4-bromo-2-prop-2-enoxyphenyl)-N-methylethanamine
CID 102947422
2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol
CID 82968844
4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 82971405
4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)aniline
CID 82968573
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(3-methylphenyl)aniline
CID 82967869
3-[4-bromo-N-ethyl-2-[1-(methylamino)ethyl]anilino]propanenitrile
CID 82968144

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline?
The IUPAC name of 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline (CID 82968195) is 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline.
What is the SMILES notation for 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline?
The canonical SMILES for 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline is C=CCN(C)c1ccc(Br)cc1C(C)NC.
What is the InChIKey of 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline?
The InChIKey is POCULKZUEDCZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-5-8-16(4)13-7-6-11(14)9-12(13)10(2)15-3/h5-7,9-10,15H,1,8H2,2-4H3.
What are the key properties of 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline?
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline has a molecular weight of 283.21 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline is sourced from PubChem (CID 82968195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).