5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine

C16H20BrN3 — CID 62293883

IUPAC5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine
SMILESCCNCc1cc(Br)cnc1N(C)c1cccc(C)c1
InChIInChI=1S/C16H20BrN3/c1-4-18-10-13-9-14(17)11-19-16(13)20(3)15-7-5-6-12(2)8-15/h5-9,11,18H,4,10H2,1-3H3
InChIKeyXRAAJDUBQQGFMR-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.03
Rot. Bonds5

About 5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine

5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine (PubChem CID 62293883) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine
PubChem CID62293883
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine
SMILESCCNCc1cc(Br)cnc1N(C)c1cccc(C)c1
InChIInChI=1S/C16H20BrN3/c1-4-18-10-13-9-14(17)11-19-16(13)20(3)15-7-5-6-12(2)8-15/h5-9,11,18H,4,10H2,1-3H3
InChIKeyXRAAJDUBQQGFMR-UHFFFAOYSA-N
XLogP4.03
TPSA28.16 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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(N,3-dimethylanilino)-3-pyridinyl]methanol
CID 62000367
5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 62287274
5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62288203
5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62278735
N-[[5-bromo-2-(2,3-dimethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296755
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 62287100
5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952628
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(2-methylcyclohexyl)pyridin-2-amine
CID 62289350
N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62672744
5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62287912
3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine
CID 62294058
5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine
CID 80628236

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine (CID 62293883) is 5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine is CCNCc1cc(Br)cnc1N(C)c1cccc(C)c1.
What is the InChIKey of 5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine?
The InChIKey is XRAAJDUBQQGFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-4-18-10-13-9-14(17)11-19-16(13)20(3)15-7-5-6-12(2)8-15/h5-9,11,18H,4,10H2,1-3H3.
What are the key properties of 5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine?
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine has a molecular weight of 334.26 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 62293883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).