4-[2-(2-methoxy-4-methylphenyl)-2-(methylamino)ethyl]pyridin-2-amine

C16H21N3O — CID 106792047

IUPAC4-[2-(2-methoxy-4-methylphenyl)-2-(methylamino)ethyl]pyridin-2-amine
SMILESCNC(Cc1ccnc(N)c1)c1ccc(C)cc1OC
InChIInChI=1S/C16H21N3O/c1-11-4-5-13(15(8-11)20-3)14(18-2)9-12-6-7-19-16(17)10-12/h4-8,10,14,18H,9H2,1-3H3,(H2,17,19)
InChIKeyMASLLBFEQFVCHK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.48
Rot. Bonds5

About 4-[2-(2-methoxy-4-methylphenyl)-2-(methylamino)ethyl]pyridin-2-amine

4-[2-(2-methoxy-4-methylphenyl)-2-(methylamino)ethyl]pyridin-2-amine (PubChem CID 106792047) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[2-(2-methoxy-4-methylphenyl)-2-(methylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(2-methoxy-4-methylphenyl)-2-(methylamino)ethyl]pyridin-2-amine
PubChem CID106792047
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[2-(2-methoxy-4-methylphenyl)-2-(methylamino)ethyl]pyridin-2-amine
SMILESCNC(Cc1ccnc(N)c1)c1ccc(C)cc1OC
InChIInChI=1S/C16H21N3O/c1-11-4-5-13(15(8-11)20-3)14(18-2)9-12-6-7-19-16(17)10-12/h4-8,10,14,18H,9H2,1-3H3,(H2,17,19)
InChIKeyMASLLBFEQFVCHK-UHFFFAOYSA-N
XLogP2.48
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 107885300
2-(2-amino-4-pyridinyl)-1-(4-chloro-2-methoxyphenyl)ethanol
CID 106819367
[2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine
CID 106793855
1-(2-methoxy-4-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106791883
2-(3-fluoro-4-methoxyphenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115829524
1-(2-methoxy-4-methylphenyl)-N-methylpent-4-yn-1-amine
CID 106791784
3-cyclopropyl-1-(2-methoxy-4-methylphenyl)-N-methylpropan-1-amine
CID 106791881
1-(2-methoxy-5-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62794931
2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792155
1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine
CID 106791994
4-[2-hydrazinyl-3-(3-methylphenyl)propyl]pyridin-2-amine
CID 105208933
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792000

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxy-4-methylphenyl)-2-(methylamino)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-(2-methoxy-4-methylphenyl)-2-(methylamino)ethyl]pyridin-2-amine (CID 106792047) is 4-[2-(2-methoxy-4-methylphenyl)-2-(methylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(2-methoxy-4-methylphenyl)-2-(methylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(2-methoxy-4-methylphenyl)-2-(methylamino)ethyl]pyridin-2-amine is CNC(Cc1ccnc(N)c1)c1ccc(C)cc1OC.
What is the InChIKey of 4-[2-(2-methoxy-4-methylphenyl)-2-(methylamino)ethyl]pyridin-2-amine?
The InChIKey is MASLLBFEQFVCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-4-5-13(15(8-11)20-3)14(18-2)9-12-6-7-19-16(17)10-12/h4-8,10,14,18H,9H2,1-3H3,(H2,17,19).
What are the key properties of 4-[2-(2-methoxy-4-methylphenyl)-2-(methylamino)ethyl]pyridin-2-amine?
4-[2-(2-methoxy-4-methylphenyl)-2-(methylamino)ethyl]pyridin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxy-4-methylphenyl)-2-(methylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 106792047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).