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

C16H19BrN2 — CID 82972017

IUPAC4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-phenylaniline
SMILESCNC(C)c1cc(Br)ccc1N(C)c1ccccc1
InChIInChI=1S/C16H19BrN2/c1-12(18-2)15-11-13(17)9-10-16(15)19(3)14-7-5-4-6-8-14/h4-12,18H,1-3H3
InChIKeySEJGYTYGYOPHGQ-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.50
Rot. Bonds4

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

4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-phenylaniline (PubChem CID 82972017) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-phenylaniline.

Molecular Properties

Compound Name4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-phenylaniline
PubChem CID82972017
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-phenylaniline
SMILESCNC(C)c1cc(Br)ccc1N(C)c1ccccc1
InChIInChI=1S/C16H19BrN2/c1-12(18-2)15-11-13(17)9-10-16(15)19(3)14-7-5-4-6-8-14/h4-12,18H,1-3H3
InChIKeySEJGYTYGYOPHGQ-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-(3-methylphenyl)aniline
CID 82967869
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylphenyl)aniline
CID 82956018
4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82972503
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline
CID 82968195
3-[4-bromo-N-methyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol
CID 114230292
4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline
CID 82953898
3-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]benzonitrile
CID 82970870
4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82968938
2-[4-bromo-2-[1-(methylamino)ethyl]-N-propan-2-ylanilino]ethanol
CID 82968844
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]-N-methylethanamine
CID 82956259
4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)aniline
CID 82968573
(1R)-1-[3-bromo-4-(N-methylanilino)phenyl]ethanol
CID 63371697

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-phenylaniline?
The IUPAC name of 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-phenylaniline (CID 82972017) is 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-phenylaniline.
What is the SMILES notation for 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-phenylaniline?
The canonical SMILES for 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-phenylaniline is CNC(C)c1cc(Br)ccc1N(C)c1ccccc1.
What is the InChIKey of 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-phenylaniline?
The InChIKey is SEJGYTYGYOPHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-12(18-2)15-11-13(17)9-10-16(15)19(3)14-7-5-4-6-8-14/h4-12,18H,1-3H3.
What are the key properties of 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-phenylaniline?
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-phenylaniline has a molecular weight of 319.25 g/mol, XLogP of 4.50, 4 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-phenylaniline is sourced from PubChem (CID 82972017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).