5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine

C15H20BrN3S — CID 62287912

IUPAC5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCCNCc1cc(Br)cnc1N(CC)Cc1cccs1
InChIInChI=1S/C15H20BrN3S/c1-3-17-9-12-8-13(16)10-18-15(12)19(4-2)11-14-6-5-7-20-14/h5-8,10,17H,3-4,9,11H2,1-2H3
InChIKeyLBTMYGNHFWTDFH-UHFFFAOYSA-N
MW354.32 g/mol
LogP4.04
Rot. Bonds7

About 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine

5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 62287912) has the molecular formula C15H20BrN3S and a molecular weight of 354.32 g/mol. Its IUPAC name is 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID62287912
Molecular FormulaC15H20BrN3S
Molecular Weight354.32 g/mol
Exact Mass353.06
IUPAC Name5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCCNCc1cc(Br)cnc1N(CC)Cc1cccs1
InChIInChI=1S/C15H20BrN3S/c1-3-17-9-12-8-13(16)10-18-15(12)19(4-2)11-14-6-5-7-20-14/h5-8,10,17H,3-4,9,11H2,1-2H3
InChIKeyLBTMYGNHFWTDFH-UHFFFAOYSA-N
XLogP4.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-2-[ethyl(thiophen-2-ylmethyl)amino]-3-pyridinyl]methanol
CID 62000735
5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62288093
N-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 61437397
5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282729
5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62288203
N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 60882928
5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81250101
3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61437900
5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 63551371
5-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62281050
3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55055076
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(3-methylphenyl)pyridin-2-amine
CID 62293883

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 62287912) is 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine is CCNCc1cc(Br)cnc1N(CC)Cc1cccs1.
What is the InChIKey of 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is LBTMYGNHFWTDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3S/c1-3-17-9-12-8-13(16)10-18-15(12)19(4-2)11-14-6-5-7-20-14/h5-8,10,17H,3-4,9,11H2,1-2H3.
What are the key properties of 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 354.32 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 62287912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).