N-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline

C16H19NO4 — CID 171920076

IUPACN-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline
SMILESCOc1cc(Nc2cccc(OC)c2OC)cc(OC)c1
InChIInChI=1S/C16H19NO4/c1-18-12-8-11(9-13(10-12)19-2)17-14-6-5-7-15(20-3)16(14)21-4/h5-10,17H,1-4H3
InChIKeyQSQSUXOAWVCELD-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.46
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline

N-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline (PubChem CID 171920076) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline
PubChem CID171920076
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline
SMILESCOc1cc(Nc2cccc(OC)c2OC)cc(OC)c1
InChIInChI=1S/C16H19NO4/c1-18-12-8-11(9-13(10-12)19-2)17-14-6-5-7-15(20-3)16(14)21-4/h5-10,17H,1-4H3
InChIKeyQSQSUXOAWVCELD-UHFFFAOYSA-N
XLogP3.46
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 171934003
5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine
CID 80722898
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
CID 19024304
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
2-chloro-6-(3,5-dimethoxyanilino)benzenecarbothioamide
CID 62501088
N-(3,5-difluorophenyl)-2-methoxy-3-methylaniline
CID 171920464
3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine
CID 43132798
1,2-dimethoxy-3-(3-methoxyphenyl)benzene
CID 57121160
2-methoxy-N-phenylaniline
CID 10910514
5-fluoro-2-methoxy-N-(3-methoxyphenyl)aniline
CID 82537043

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline (CID 171920076) is N-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline is COc1cc(Nc2cccc(OC)c2OC)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline?
The InChIKey is QSQSUXOAWVCELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-18-12-8-11(9-13(10-12)19-2)17-14-6-5-7-15(20-3)16(14)21-4/h5-10,17H,1-4H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline?
N-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline has a molecular weight of 289.33 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2,3-dimethoxyaniline is sourced from PubChem (CID 171920076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).