2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline

C16H20BrN3 — CID 82971650

IUPAC2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCC(N)c1cc(Br)ccc1N(C)CCc1ccncc1
InChIInChI=1S/C16H20BrN3/c1-12(18)15-11-14(17)3-4-16(15)20(2)10-7-13-5-8-19-9-6-13/h3-6,8-9,11-12H,7,10,18H2,1-2H3
InChIKeyXQKVNIZYRAAMOC-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.54
Rot. Bonds5

About 2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline

2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 82971650) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline
PubChem CID82971650
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCC(N)c1cc(Br)ccc1N(C)CCc1ccncc1
InChIInChI=1S/C16H20BrN3/c1-12(18)15-11-14(17)3-4-16(15)20(2)10-7-13-5-8-19-9-6-13/h3-6,8-9,11-12H,7,10,18H2,1-2H3
InChIKeyXQKVNIZYRAAMOC-UHFFFAOYSA-N
XLogP3.54
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline
CID 82971357
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 78934572
2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 115994911
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 63793780
3-bromo-4-[methyl(2-pyridin-4-ylethyl)amino]benzonitrile
CID 82713869
2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 63793781
2-(1-aminoethyl)-4-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 82972283
2-(1-aminoethyl)-4-bromo-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 82956592
2-(1-aminoethyl)-4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylaniline
CID 82968262
2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline
CID 79009081
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 82968110
2-(1-aminoethyl)-4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 82967969

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline (CID 82971650) is 2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline is CC(N)c1cc(Br)ccc1N(C)CCc1ccncc1.
What is the InChIKey of 2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is XQKVNIZYRAAMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-12(18)15-11-14(17)3-4-16(15)20(2)10-7-13-5-8-19-9-6-13/h3-6,8-9,11-12H,7,10,18H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 334.26 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 82971650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).