3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine

C17H23N3O — CID 81249417

IUPAC3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine
SMILESCCNCc1cnccc1N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C17H23N3O/c1-4-18-11-15-12-19-10-9-17(15)20(2)13-14-5-7-16(21-3)8-6-14/h5-10,12,18H,4,11,13H2,1-3H3
InChIKeyNZDUFQPMGYCXOO-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.84
Rot. Bonds7

About 3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine

3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine (PubChem CID 81249417) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine
PubChem CID81249417
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine
SMILESCCNCc1cnccc1N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C17H23N3O/c1-4-18-11-15-12-19-10-9-17(15)20(2)13-14-5-7-16(21-3)8-6-14/h5-10,12,18H,4,11,13H2,1-3H3
InChIKeyNZDUFQPMGYCXOO-UHFFFAOYSA-N
XLogP2.84
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine?
The IUPAC name of 3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine (CID 81249417) is 3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine?
The canonical SMILES for 3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine is CCNCc1cnccc1N(C)Cc1ccc(OC)cc1.
What is the InChIKey of 3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine?
The InChIKey is NZDUFQPMGYCXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-18-11-15-12-19-10-9-17(15)20(2)13-14-5-7-16(21-3)8-6-14/h5-10,12,18H,4,11,13H2,1-3H3.
What are the key properties of 3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine?
3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 81249417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).