5-methoxy-2-(4,5,6-trimethoxyindol-1-yl)aniline

C18H20N2O4 — CID 54768149

IUPAC5-methoxy-2-(4,5,6-trimethoxyindol-1-yl)aniline
SMILESCOc1ccc(-n2ccc3c(OC)c(OC)c(OC)cc32)c(N)c1
InChIInChI=1S/C18H20N2O4/c1-21-11-5-6-14(13(19)9-11)20-8-7-12-15(20)10-16(22-2)18(24-4)17(12)23-3/h5-10H,19H2,1-4H3
InChIKeyYXCPFMABPCVNHC-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.25
Rot. Bonds5

About 5-methoxy-2-(4,5,6-trimethoxyindol-1-yl)aniline

5-methoxy-2-(4,5,6-trimethoxyindol-1-yl)aniline (PubChem CID 54768149) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-methoxy-2-(4,5,6-trimethoxyindol-1-yl)aniline.

Molecular Properties

Compound Name5-methoxy-2-(4,5,6-trimethoxyindol-1-yl)aniline
PubChem CID54768149
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name5-methoxy-2-(4,5,6-trimethoxyindol-1-yl)aniline
SMILESCOc1ccc(-n2ccc3c(OC)c(OC)c(OC)cc32)c(N)c1
InChIInChI=1S/C18H20N2O4/c1-21-11-5-6-14(13(19)9-11)20-8-7-12-15(20)10-16(22-2)18(24-4)17(12)23-3/h5-10H,19H2,1-4H3
InChIKeyYXCPFMABPCVNHC-UHFFFAOYSA-N
XLogP3.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Oxypertine
CID 4640
4,6-Dimethoxyindole
CID 828760
6,7-Dimethoxy-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile
CID 5330468
4-[(3,5-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5330472
6,7-Dimethoxy-4-(3,4-dimethoxyphenoxy)quinoline
CID 9927943
5,6,7-Trimethoxy-3-pyridin-4-yl-quinoline
CID 9994707
Benzyl-(6,7-dimethoxy-quinolin-3-yl)-amine
CID 10424517
6,7-Dimethoxy-4-(3-methoxyphenoxy)quinoline
CID 22132666
1-Methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole
CID 52914800
(NE)-N-[[1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine
CID 145988046
5,6-Bis(phenylmethoxy)-1H-indole
CID 20920
5,6-Dimethoxyquinolin-8-amine
CID 231558

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4,5,6-trimethoxyindol-1-yl)aniline?
The IUPAC name of 5-methoxy-2-(4,5,6-trimethoxyindol-1-yl)aniline (CID 54768149) is 5-methoxy-2-(4,5,6-trimethoxyindol-1-yl)aniline.
What is the SMILES notation for 5-methoxy-2-(4,5,6-trimethoxyindol-1-yl)aniline?
The canonical SMILES for 5-methoxy-2-(4,5,6-trimethoxyindol-1-yl)aniline is COc1ccc(-n2ccc3c(OC)c(OC)c(OC)cc32)c(N)c1.
What is the InChIKey of 5-methoxy-2-(4,5,6-trimethoxyindol-1-yl)aniline?
The InChIKey is YXCPFMABPCVNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-21-11-5-6-14(13(19)9-11)20-8-7-12-15(20)10-16(22-2)18(24-4)17(12)23-3/h5-10H,19H2,1-4H3.
What are the key properties of 5-methoxy-2-(4,5,6-trimethoxyindol-1-yl)aniline?
5-methoxy-2-(4,5,6-trimethoxyindol-1-yl)aniline has a molecular weight of 328.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4,5,6-trimethoxyindol-1-yl)aniline is sourced from PubChem (CID 54768149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).