4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine

C16H20N2O3 — CID 63329305

IUPAC4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(CNc2cnccc2C)c(OC)c1OC
InChIInChI=1S/C16H20N2O3/c1-11-7-8-17-10-13(11)18-9-12-5-6-14(19-2)16(21-4)15(12)20-3/h5-8,10,18H,9H2,1-4H3
InChIKeyMKFUDQQAVGWPNQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.03
Rot. Bonds6

About 4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine

4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine (PubChem CID 63329305) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
PubChem CID63329305
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(CNc2cnccc2C)c(OC)c1OC
InChIInChI=1S/C16H20N2O3/c1-11-7-8-17-10-13(11)18-9-12-5-6-14(19-2)16(21-4)15(12)20-3/h5-8,10,18H,9H2,1-4H3
InChIKeyMKFUDQQAVGWPNQ-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

N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypyridin-3-amine
CID 75430755
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 63329564
4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
CID 83167191
N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 113434216
1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 1075948
3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 775203
6-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851492
N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329924
2-pyrazol-1-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 75415259
N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 3351558
4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
CID 63329883
1-pyridin-3-yl-3-[(2,3,4-trimethoxyphenyl)methyl]thiourea
CID 100667143

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine?
The IUPAC name of 4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine (CID 63329305) is 4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine is COc1ccc(CNc2cnccc2C)c(OC)c1OC.
What is the InChIKey of 4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine?
The InChIKey is MKFUDQQAVGWPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-7-8-17-10-13(11)18-9-12-5-6-14(19-2)16(21-4)15(12)20-3/h5-8,10,18H,9H2,1-4H3.
What are the key properties of 4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine?
4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine 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 4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 63329305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).