5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine

C16H19Br2N3 — CID 62288203

IUPAC5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine
SMILESCCNCc1cc(Br)cnc1N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H19Br2N3/c1-3-19-9-13-8-15(18)10-20-16(13)21(2)11-12-4-6-14(17)7-5-12/h4-8,10,19H,3,9,11H2,1-2H3
InChIKeyOZTITARAHIOUEX-UHFFFAOYSA-N
MW413.16 g/mol
LogP4.35
Rot. Bonds6

About 5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine

5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine (PubChem CID 62288203) has the molecular formula C16H19Br2N3 and a molecular weight of 413.16 g/mol. Its IUPAC name is 5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine
PubChem CID62288203
Molecular FormulaC16H19Br2N3
Molecular Weight413.16 g/mol
Exact Mass410.99
IUPAC Name5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine
SMILESCCNCc1cc(Br)cnc1N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H19Br2N3/c1-3-19-9-13-8-15(18)10-20-16(13)21(2)11-12-4-6-14(17)7-5-12/h4-8,10,19H,3,9,11H2,1-2H3
InChIKeyOZTITARAHIOUEX-UHFFFAOYSA-N
XLogP4.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.16
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62278735
5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 62287274
[5-bromo-2-[(4-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 62000732
N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62284947
N-[(4-bromophenyl)methyl]-2-(ethylaminomethyl)-N-methylpyridin-4-amine
CID 62287139
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine
CID 62293883
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 62287100
5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62287912
5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
CID 63025670
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 62288842
6-[(4-bromophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde
CID 80636625
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(2-methylcyclohexyl)pyridin-2-amine
CID 62289350

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine (CID 62288203) is 5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine is CCNCc1cc(Br)cnc1N(C)Cc1ccc(Br)cc1.
What is the InChIKey of 5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine?
The InChIKey is OZTITARAHIOUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Br2N3/c1-3-19-9-13-8-15(18)10-20-16(13)21(2)11-12-4-6-14(17)7-5-12/h4-8,10,19H,3,9,11H2,1-2H3.
What are the key properties of 5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine?
5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine has a molecular weight of 413.16 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 62288203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).