4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline

C15H20BrN3S — CID 82968155

IUPAC4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCNC(C)c1cc(Br)ccc1N(C)Cc1csc(C)n1
InChIInChI=1S/C15H20BrN3S/c1-10(17-3)14-7-12(16)5-6-15(14)19(4)8-13-9-20-11(2)18-13/h5-7,9-10,17H,8H2,1-4H3
InChIKeyWLINPYNLBMDISU-UHFFFAOYSA-N
MW354.32 g/mol
LogP4.13
Rot. Bonds5

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

4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 82968155) has the molecular formula C15H20BrN3S and a molecular weight of 354.32 g/mol. Its IUPAC name is 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID82968155
Molecular FormulaC15H20BrN3S
Molecular Weight354.32 g/mol
Exact Mass353.06
IUPAC Name4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCNC(C)c1cc(Br)ccc1N(C)Cc1csc(C)n1
InChIInChI=1S/C15H20BrN3S/c1-10(17-3)14-7-12(16)5-6-15(14)19(4)8-13-9-20-11(2)18-13/h5-7,9-10,17H,8H2,1-4H3
InChIKeyWLINPYNLBMDISU-UHFFFAOYSA-N
XLogP4.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminoethyl)-4-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 82968298
4-bromo-2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 65342722
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 55190142
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
2-bromo-1-N,5-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,4-diamine
CID 114048222
4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82968938
1-(2,4-dibromophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61282639
2-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]aniline
CID 81144066
2-(1-aminoethyl)-4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 82967969
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 82955986
4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole
CID 58762168

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (CID 82968155) is 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is CNC(C)c1cc(Br)ccc1N(C)Cc1csc(C)n1.
What is the InChIKey of 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is WLINPYNLBMDISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3S/c1-10(17-3)14-7-12(16)5-6-15(14)19(4)8-13-9-20-11(2)18-13/h5-7,9-10,17H,8H2,1-4H3.
What are the key properties of 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 354.32 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 82968155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).