4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline

C17H22BrN3 — CID 82953898

IUPAC4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline
SMILESCCN(Cc1ccccn1)c1ccc(Br)cc1C(C)NC
InChIInChI=1S/C17H22BrN3/c1-4-21(12-15-7-5-6-10-20-15)17-9-8-14(18)11-16(17)13(2)19-3/h5-11,13,19H,4,12H2,1-3H3
InChIKeyJAZKDWZVZTUPSX-UHFFFAOYSA-N
MW348.29 g/mol
LogP4.15
Rot. Bonds6

About 4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline

4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline (PubChem CID 82953898) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is 4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline
PubChem CID82953898
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC Name4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline
SMILESCCN(Cc1ccccn1)c1ccc(Br)cc1C(C)NC
InChIInChI=1S/C17H22BrN3/c1-4-21(12-15-7-5-6-10-20-15)17-9-8-14(18)11-16(17)13(2)19-3/h5-11,13,19H,4,12H2,1-3H3
InChIKeyJAZKDWZVZTUPSX-UHFFFAOYSA-N
XLogP4.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 82955986
1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone
CID 82966670
4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)aniline
CID 82968573
3-[4-bromo-N-ethyl-2-[1-(methylamino)ethyl]anilino]propanenitrile
CID 82968144
5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104531868
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-phenylaniline
CID 82972017
4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline
CID 107084678
4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 114061506
4-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-(2-methylpropyl)aniline
CID 82972419
3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid
CID 102823195
3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 82786091
2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-bromo-N-methylaniline
CID 71033744

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline (CID 82953898) is 4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline is CCN(Cc1ccccn1)c1ccc(Br)cc1C(C)NC.
What is the InChIKey of 4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is JAZKDWZVZTUPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-4-21(12-15-7-5-6-10-20-15)17-9-8-14(18)11-16(17)13(2)19-3/h5-11,13,19H,4,12H2,1-3H3.
What are the key properties of 4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline?
4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 348.29 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 82953898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).