N-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine

C18H20N2O2 — CID 82538657

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine
SMILESCOc1ccc(CNc2ccc3c(ccn3C)c2)cc1OC
InChIInChI=1S/C18H20N2O2/c1-20-9-8-14-11-15(5-6-16(14)20)19-12-13-4-7-17(21-2)18(10-13)22-3/h4-11,19H,12H2,1-3H3
InChIKeyWQINPYZEXAQSIT-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.81
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine

N-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine (PubChem CID 82538657) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine
PubChem CID82538657
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine
SMILESCOc1ccc(CNc2ccc3c(ccn3C)c2)cc1OC
InChIInChI=1S/C18H20N2O2/c1-20-9-8-14-11-15(5-6-16(14)20)19-12-13-4-7-17(21-2)18(10-13)22-3/h4-11,19H,12H2,1-3H3
InChIKeyWQINPYZEXAQSIT-UHFFFAOYSA-N
XLogP3.81
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine
CID 82539031
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea
CID 121239700
6-[(3,4-dimethoxyphenyl)methylamino]-3-methyl-1,3-benzothiazol-2-one
CID 22433828
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine
CID 82538656
methyl 2-[(1-methylindol-5-yl)amino]acetate
CID 82539684
1-N-[(3,4-dimethoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 964328
(2S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-N-(1-methylindol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 1496652
1-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]ethanone
CID 115576828
3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936284
6-N-[2-[[4,6-bis[(3,4-dimethoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethyl]-2-N,4-N-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 177395359
4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol
CID 43743646
4-[(3,4-dimethoxyanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202497

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine (CID 82538657) is N-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine is COc1ccc(CNc2ccc3c(ccn3C)c2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine?
The InChIKey is WQINPYZEXAQSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-20-9-8-14-11-15(5-6-16(14)20)19-12-13-4-7-17(21-2)18(10-13)22-3/h4-11,19H,12H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine?
N-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine has a molecular weight of 296.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine is sourced from PubChem (CID 82538657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).