5-chloro-6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine

C15H18ClN3O — CID 62891685

IUPAC5-chloro-6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(Cl)c(CN(C)c2ccc(OC)cc2)n1
InChIInChI=1S/C15H18ClN3O/c1-17-15-9-8-13(16)14(18-15)10-19(2)11-4-6-12(20-3)7-5-11/h4-9H,10H2,1-3H3,(H,17,18)
InChIKeyIQGLICNRCMPUAM-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.42
Rot. Bonds5

About 5-chloro-6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine

5-chloro-6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine (PubChem CID 62891685) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-chloro-6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
PubChem CID62891685
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-chloro-6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(Cl)c(CN(C)c2ccc(OC)cc2)n1
InChIInChI=1S/C15H18ClN3O/c1-17-15-9-8-13(16)14(18-15)10-19(2)11-4-6-12(20-3)7-5-11/h4-9H,10H2,1-3H3,(H,17,18)
InChIKeyIQGLICNRCMPUAM-UHFFFAOYSA-N
XLogP3.42
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-[(4-methoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62885465
6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 79243198
3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-methylamino]benzonitrile
CID 62983506
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline
CID 62891013
5-chloro-6-[(dipropylamino)methyl]-N-methylpyridin-2-amine
CID 62891120
5-chloro-6-[[cyclopropyl(methyl)amino]methyl]-N-methylpyridin-2-amine
CID 62891652
5-chloro-6-(methoxymethyl)-N-methylpyridin-2-amine
CID 62886675
5-chloro-N-methyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine
CID 62891142
4-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 62464462
4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline
CID 115212693
2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]ethanol
CID 62890436
6-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-chloro-N-methylpyridin-2-amine
CID 55127400

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine (CID 62891685) is 5-chloro-6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine is CNc1ccc(Cl)c(CN(C)c2ccc(OC)cc2)n1.
What is the InChIKey of 5-chloro-6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine?
The InChIKey is IQGLICNRCMPUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-17-15-9-8-13(16)14(18-15)10-19(2)11-4-6-12(20-3)7-5-11/h4-9H,10H2,1-3H3,(H,17,18).
What are the key properties of 5-chloro-6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine?
5-chloro-6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine has a molecular weight of 291.78 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62891685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).