4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline

C15H18BrN3 — CID 78934605

IUPAC4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESC[C@@H](N)c1ccc(N(C)Cc2ccncc2)c(Br)c1
InChIInChI=1S/C15H18BrN3/c1-11(17)13-3-4-15(14(16)9-13)19(2)10-12-5-7-18-8-6-12/h3-9,11H,10,17H2,1-2H3/t11-/m1/s1
InChIKeyHJMWWJFZDLBOJV-LLVKDONJSA-N
MW320.23 g/mol
LogP3.50
Rot. Bonds4

About 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline

4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline (PubChem CID 78934605) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
PubChem CID78934605
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESC[C@@H](N)c1ccc(N(C)Cc2ccncc2)c(Br)c1
InChIInChI=1S/C15H18BrN3/c1-11(17)13-3-4-15(14(16)9-13)19(2)10-12-5-7-18-8-6-12/h3-9,11H,10,17H2,1-2H3/t11-/m1/s1
InChIKeyHJMWWJFZDLBOJV-LLVKDONJSA-N
XLogP3.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 55190467
1-[3-bromo-4-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol
CID 62908856
4-[(1S)-1-aminoethyl]-2-bromo-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 63532832
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934682
4-(1-aminoethyl)-2-bromo-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 62909906
4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 63534132
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 78934602
4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 82794707
4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935606
4-[(1S)-1-aminoethyl]-2-bromo-N-(2,2-difluoroethyl)-N-methylaniline
CID 104870977
2-[4-(1-aminoethyl)-2-bromo-N-methylanilino]ethanol
CID 62909377
4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 62910058

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline (CID 78934605) is 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline is C[C@@H](N)c1ccc(N(C)Cc2ccncc2)c(Br)c1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is HJMWWJFZDLBOJV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-11(17)13-3-4-15(14(16)9-13)19(2)10-12-5-7-18-8-6-12/h3-9,11H,10,17H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline?
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 320.23 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 78934605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).