1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine

C16H20N2O3 — CID 1075948

IUPAC1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2cccnc2)c(OC)c1OC
InChIInChI=1S/C16H20N2O3/c1-19-14-7-6-13(15(20-2)16(14)21-3)11-18-10-12-5-4-8-17-9-12/h4-9,18H,10-11H2,1-3H3
InChIKeySWIXGMSXICJHEP-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.40
Rot. Bonds7

About 1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine

1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine (PubChem CID 1075948) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
PubChem CID1075948
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2cccnc2)c(OC)c1OC
InChIInChI=1S/C16H20N2O3/c1-19-14-7-6-13(15(20-2)16(14)21-3)11-18-10-12-5-4-8-17-9-12/h4-9,18H,10-11H2,1-3H3
InChIKeySWIXGMSXICJHEP-UHFFFAOYSA-N
XLogP2.40
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 2997335
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 43406252
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 53350927
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylethanamine
CID 63625517
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 54855342
N-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 84746205
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 52672336
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 1017197
oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17052977
N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid
CID 17367682
1-pyridin-3-yl-3-[(2,3,4-trimethoxyphenyl)methyl]thiourea
CID 100667143
1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47008110

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine (CID 1075948) is 1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine is COc1ccc(CNCc2cccnc2)c(OC)c1OC.
What is the InChIKey of 1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine?
The InChIKey is SWIXGMSXICJHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-19-14-7-6-13(15(20-2)16(14)21-3)11-18-10-12-5-4-8-17-9-12/h4-9,18H,10-11H2,1-3H3.
What are the key properties of 1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine?
1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine has a molecular weight of 288.35 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 1075948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).