5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine

C14H24BrN3O — CID 82952628

IUPAC5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
SMILESCCNCc1cc(Br)cnc1N(CCOC)C(C)C
InChIInChI=1S/C14H24BrN3O/c1-5-16-9-12-8-13(15)10-17-14(12)18(11(2)3)6-7-19-4/h8,10-11,16H,5-7,9H2,1-4H3
InChIKeySZCIXLMEXMVWNQ-UHFFFAOYSA-N
MW330.27 g/mol
LogP2.81
Rot. Bonds8

About 5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine

5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 82952628) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
PubChem CID82952628
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
SMILESCCNCc1cc(Br)cnc1N(CCOC)C(C)C
InChIInChI=1S/C14H24BrN3O/c1-5-16-9-12-8-13(15)10-17-14(12)18(11(2)3)6-7-19-4/h8,10-11,16H,5-7,9H2,1-4H3
InChIKeySZCIXLMEXMVWNQ-UHFFFAOYSA-N
XLogP2.81
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine (CID 82952628) is 5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine is CCNCc1cc(Br)cnc1N(CCOC)C(C)C.
What is the InChIKey of 5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is SZCIXLMEXMVWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-5-16-9-12-8-13(15)10-17-14(12)18(11(2)3)6-7-19-4/h8,10-11,16H,5-7,9H2,1-4H3.
What are the key properties of 5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine?
5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 330.27 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 82952628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).