5-(4-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrrol-3-amine

C14H15N3O — CID 82387457

IUPAC5-(4-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrrol-3-amine
SMILESCOc1cccc2[nH]c(C)c(-c3cc(N)c[nH]3)c12
InChIInChI=1S/C14H15N3O/c1-8-13(11-6-9(15)7-16-11)14-10(17-8)4-3-5-12(14)18-2/h3-7,16-17H,15H2,1-2H3
InChIKeyDUVFONBVNGOFOC-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.06
Rot. Bonds2

About 5-(4-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrrol-3-amine

5-(4-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrrol-3-amine (PubChem CID 82387457) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(4-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrrol-3-amine.

Molecular Properties

Compound Name5-(4-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrrol-3-amine
PubChem CID82387457
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name5-(4-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrrol-3-amine
SMILESCOc1cccc2[nH]c(C)c(-c3cc(N)c[nH]3)c12
InChIInChI=1S/C14H15N3O/c1-8-13(11-6-9(15)7-16-11)14-10(17-8)4-3-5-12(14)18-2/h3-7,16-17H,15H2,1-2H3
InChIKeyDUVFONBVNGOFOC-UHFFFAOYSA-N
XLogP3.06
TPSA66.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,6-dimethoxyphenyl)-1H-pyrrol-3-amine
CID 96610158
4-methoxy-3-(4-methoxyphenyl)-2-methyl-1H-indole
CID 13415856
5-methoxy-2,3-dimethyl-1H-quinolin-4-one
CID 119083522
bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 143294111
5-methoxy-2,3-dimethyl-1H-indol-4-amine
CID 84771527
1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82279193
2-(4-methoxy-1H-indol-3-yl)pyridin-4-amine
CID 115114211
3-fluoro-4-methoxy-1H-indole
CID 162696038
5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine
CID 96617521
(E)-3-(4-methoxy-2-methyl-1H-indol-3-yl)but-2-enoic acid
CID 82279144
4-hydroxy-5-methoxy-1H-quinolin-2-one
CID 54718133
N,N-diethyl-4-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110855129

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrrol-3-amine?
The IUPAC name of 5-(4-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrrol-3-amine (CID 82387457) is 5-(4-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrrol-3-amine.
What is the SMILES notation for 5-(4-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrrol-3-amine?
The canonical SMILES for 5-(4-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrrol-3-amine is COc1cccc2[nH]c(C)c(-c3cc(N)c[nH]3)c12.
What is the InChIKey of 5-(4-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrrol-3-amine?
The InChIKey is DUVFONBVNGOFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-8-13(11-6-9(15)7-16-11)14-10(17-8)4-3-5-12(14)18-2/h3-7,16-17H,15H2,1-2H3.
What are the key properties of 5-(4-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrrol-3-amine?
5-(4-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrrol-3-amine has a molecular weight of 241.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2-methyl-1H-indol-3-yl)-1H-pyrrol-3-amine is sourced from PubChem (CID 82387457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).