5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine

C16H20ClN3O — CID 62294612

IUPAC5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1nc(N(C)Cc2ccc(OC)cc2)ccc1Cl
InChIInChI=1S/C16H20ClN3O/c1-18-10-15-14(17)8-9-16(19-15)20(2)11-12-4-6-13(21-3)7-5-12/h4-9,18H,10-11H2,1-3H3
InChIKeyJVRPFESASPBMDR-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.10
Rot. Bonds6

About 5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine

5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine (PubChem CID 62294612) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine
PubChem CID62294612
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1nc(N(C)Cc2ccc(OC)cc2)ccc1Cl
InChIInChI=1S/C16H20ClN3O/c1-18-10-15-14(17)8-9-16(19-15)20(2)11-12-4-6-13(21-3)7-5-12/h4-9,18H,10-11H2,1-3H3
InChIKeyJVRPFESASPBMDR-UHFFFAOYSA-N
XLogP3.10
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine (CID 62294612) is 5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine is CNCc1nc(N(C)Cc2ccc(OC)cc2)ccc1Cl.
What is the InChIKey of 5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine?
The InChIKey is JVRPFESASPBMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-18-10-15-14(17)8-9-16(19-15)20(2)11-12-4-6-13(21-3)7-5-12/h4-9,18H,10-11H2,1-3H3.
What are the key properties of 5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine?
5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine has a molecular weight of 305.81 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62294612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).