3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine

C15H17BrClN3 — CID 62984905

IUPAC3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
SMILESCC(c1ccc(Cl)cc1)N(C)c1ncc(Br)cc1CN
InChIInChI=1S/C15H17BrClN3/c1-10(11-3-5-14(17)6-4-11)20(2)15-12(8-18)7-13(16)9-19-15/h3-7,9-10H,8,18H2,1-2H3
InChIKeyRYTXKYHIVOZEQQ-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.15
Rot. Bonds4

About 3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine

3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine (PubChem CID 62984905) has the molecular formula C15H17BrClN3 and a molecular weight of 354.68 g/mol. Its IUPAC name is 3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
PubChem CID62984905
Molecular FormulaC15H17BrClN3
Molecular Weight354.68 g/mol
Exact Mass353.03
IUPAC Name3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
SMILESCC(c1ccc(Cl)cc1)N(C)c1ncc(Br)cc1CN
InChIInChI=1S/C15H17BrClN3/c1-10(11-3-5-14(17)6-4-11)20(2)15-12(8-18)7-13(16)9-19-15/h3-7,9-10H,8,18H2,1-2H3
InChIKeyRYTXKYHIVOZEQQ-UHFFFAOYSA-N
XLogP4.15
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine
CID 62980506
3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 62979984
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 102813927
3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 130297463
[5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 62978853
2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 62980335
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline
CID 115366851
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline
CID 62979024
3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
CID 55054981
5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
CID 81446929
5-bromo-2-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 63568192
6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde
CID 80631934

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine (CID 62984905) is 3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine is CC(c1ccc(Cl)cc1)N(C)c1ncc(Br)cc1CN.
What is the InChIKey of 3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine?
The InChIKey is RYTXKYHIVOZEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3/c1-10(11-3-5-14(17)6-4-11)20(2)15-12(8-18)7-13(16)9-19-15/h3-7,9-10H,8,18H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine?
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine has a molecular weight of 354.68 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62984905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).