1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine

C18H23NO4 — CID 23882259

IUPAC1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine
SMILESCOc1ccc(OC)c(CNCc2cccc(OC)c2OC)c1
InChIInChI=1S/C18H23NO4/c1-20-15-8-9-16(21-2)14(10-15)12-19-11-13-6-5-7-17(22-3)18(13)23-4/h5-10,19H,11-12H2,1-4H3
InChIKeyHCGBWHCLIOSABP-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.01
Rot. Bonds8

About 1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine

1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine (PubChem CID 23882259) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine
PubChem CID23882259
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine
SMILESCOc1ccc(OC)c(CNCc2cccc(OC)c2OC)c1
InChIInChI=1S/C18H23NO4/c1-20-15-8-9-16(21-2)14(10-15)12-19-11-13-6-5-7-17(22-3)18(13)23-4/h5-10,19H,11-12H2,1-4H3
InChIKeyHCGBWHCLIOSABP-UHFFFAOYSA-N
XLogP3.01
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60761595
1-(2,3-dimethoxyphenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 25286903
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 121230760
N-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 60957867
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043
N-[(2,6-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 738592
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346
CID 59317356
CID 59317356

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine (CID 23882259) is 1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine is COc1ccc(OC)c(CNCc2cccc(OC)c2OC)c1.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine?
The InChIKey is HCGBWHCLIOSABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-20-15-8-9-16(21-2)14(10-15)12-19-11-13-6-5-7-17(22-3)18(13)23-4/h5-10,19H,11-12H2,1-4H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine?
1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine has a molecular weight of 317.39 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 23882259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).