1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride

C19H26ClNO5 — CID 47008110

IUPAC1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride
SMILESCOc1ccc(CNCc2ccc(OC)c(OC)c2OC)cc1OC.Cl
InChIInChI=1S/C19H25NO5.ClH/c1-21-15-8-6-13(10-17(15)23-3)11-20-12-14-7-9-16(22-2)19(25-5)18(14)24-4;/h6-10,20H,11-12H2,1-5H3;1H
InChIKeyOKLIUERYGXBPGS-UHFFFAOYSA-N
MW383.87 g/mol
LogP3.44
Rot. Bonds9

About 1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride

1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride (PubChem CID 47008110) has the molecular formula C19H26ClNO5 and a molecular weight of 383.87 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride
PubChem CID47008110
Molecular FormulaC19H26ClNO5
Molecular Weight383.87 g/mol
Exact Mass383.15
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride
SMILESCOc1ccc(CNCc2ccc(OC)c(OC)c2OC)cc1OC.Cl
InChIInChI=1S/C19H25NO5.ClH/c1-21-15-8-6-13(10-17(15)23-3)11-20-12-14-7-9-16(22-2)19(25-5)18(14)24-4;/h6-10,20H,11-12H2,1-5H3;1H
InChIKeyOKLIUERYGXBPGS-UHFFFAOYSA-N
XLogP3.44
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.87
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine;hydrochloride
CID 47052559
1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 52526472
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine
CID 111202214
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17052977
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine;oxalic acid
CID 146115791
1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 1075948
2-[(2,3,4-trimethoxyphenyl)methylamino]acetonitrile
CID 139371375
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 4719122
CID 11303039
CID 11303039

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride (CID 47008110) is 1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride is COc1ccc(CNCc2ccc(OC)c(OC)c2OC)cc1OC.Cl.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride?
The InChIKey is OKLIUERYGXBPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5.ClH/c1-21-15-8-6-13(10-17(15)23-3)11-20-12-14-7-9-16(22-2)19(25-5)18(14)24-4;/h6-10,20H,11-12H2,1-5H3;1H.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride?
1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride has a molecular weight of 383.87 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 47008110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).