2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline

C16H20N2O3 — CID 82887682

IUPAC2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1cc(C)nc(CNc2cc(OC)ccc2OC)c1
InChIInChI=1S/C16H20N2O3/c1-11-7-14(20-3)8-12(18-11)10-17-15-9-13(19-2)5-6-16(15)21-4/h5-9,17H,10H2,1-4H3
InChIKeyVCQCSKGGCXATHG-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.03
Rot. Bonds6

About 2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline

2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline (PubChem CID 82887682) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
PubChem CID82887682
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1cc(C)nc(CNc2cc(OC)ccc2OC)c1
InChIInChI=1S/C16H20N2O3/c1-11-7-14(20-3)8-12(18-11)10-17-15-9-13(19-2)5-6-16(15)21-4/h5-9,17H,10H2,1-4H3
InChIKeyVCQCSKGGCXATHG-UHFFFAOYSA-N
XLogP3.03
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82892845
2,4-dibromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 103413115
2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893200
2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893270
2-(methoxymethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82892911
2-(difluoromethoxy)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82888104
2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
CID 103585743
2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 107606547
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 82893513
2-(1-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82895611
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
4-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893201

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline (CID 82887682) is 2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline is COc1cc(C)nc(CNc2cc(OC)ccc2OC)c1.
What is the InChIKey of 2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is VCQCSKGGCXATHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-7-14(20-3)8-12(18-11)10-17-15-9-13(19-2)5-6-16(15)21-4/h5-9,17H,10H2,1-4H3.
What are the key properties of 2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 288.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 82887682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).