(1R)-1-(3-methoxyphenyl)-N-[1-[1-(1-methylindol-5-yl)isoquinolin-3-yl]ethyl]ethanamine

C29H29N3O — CID 126669765

IUPAC(1R)-1-(3-methoxyphenyl)-N-[1-[1-(1-methylindol-5-yl)isoquinolin-3-yl]ethyl]ethanamine
SMILESCOc1cccc([C@@H](C)NC(C)c2cc3ccccc3c(-c3ccc4c(ccn4C)c3)n2)c1
InChIInChI=1S/C29H29N3O/c1-19(21-9-7-10-25(17-21)33-4)30-20(2)27-18-22-8-5-6-11-26(22)29(31-27)24-12-13-28-23(16-24)14-15-32(28)3/h5-20,30H,1-4H3/t19-,20?/m1/s1
InChIKeyLSZRAYHBEFTJMX-FIWHBWSRSA-N
MW435.57 g/mol
LogP6.81
Rot. Bonds6

About (1R)-1-(3-methoxyphenyl)-N-[1-[1-(1-methylindol-5-yl)isoquinolin-3-yl]ethyl]ethanamine

(1R)-1-(3-methoxyphenyl)-N-[1-[1-(1-methylindol-5-yl)isoquinolin-3-yl]ethyl]ethanamine (PubChem CID 126669765) has the molecular formula C29H29N3O and a molecular weight of 435.57 g/mol. Its IUPAC name is (1R)-1-(3-methoxyphenyl)-N-[1-[1-(1-methylindol-5-yl)isoquinolin-3-yl]ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-methoxyphenyl)-N-[1-[1-(1-methylindol-5-yl)isoquinolin-3-yl]ethyl]ethanamine
PubChem CID126669765
Molecular FormulaC29H29N3O
Molecular Weight435.57 g/mol
Exact Mass435.23
IUPAC Name(1R)-1-(3-methoxyphenyl)-N-[1-[1-(1-methylindol-5-yl)isoquinolin-3-yl]ethyl]ethanamine
SMILESCOc1cccc([C@@H](C)NC(C)c2cc3ccccc3c(-c3ccc4c(ccn4C)c3)n2)c1
InChIInChI=1S/C29H29N3O/c1-19(21-9-7-10-25(17-21)33-4)30-20(2)27-18-22-8-5-6-11-26(22)29(31-27)24-12-13-28-23(16-24)14-15-32(28)3/h5-20,30H,1-4H3/t19-,20?/m1/s1
InChIKeyLSZRAYHBEFTJMX-FIWHBWSRSA-N
XLogP6.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(3-methoxyphenyl)-N-[1-[1-(1-methylindol-5-yl)isoquinolin-3-yl]ethyl]ethanamine with MolForge

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Related Compounds

5-Methoxy-N,N-Diisopropyltryptamine
CID 151182
9-Methoxy-5,11-Dimethyl-6H-Pyrido(4,3-B)Carbazole
CID 72512
6-Methoxy-1-methyl-9H-pyrido(3,4-b)indole
CID 5376026
9-Methoxy-2-methylellipticinium acetate
CID 362973
Ditercalinium Chloride
CID 71541
Datelliptium Chloride
CID 72034
6H-Pyrido(4,3-b)carbazole, 1-((3-(4-aminopropyl-1-piperazinyl)propyl)amino)-9-methoxy-5-methyl-
CID 135608
1-Benzyl-6-methoxy-4-methylquinolinium chloride
CID 2834440
3-(9-Methoxy-5,11-dimethylpyrido(4,3-b)carbazol-6-yl)propan-1-amine
CID 425818
9-Methoxy-2,5,11-trimethyl-6H-pyrido(4,3-b)carbazolium iodide
CID 3086380
(2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridin-3-yl)oxy-propan-2-amine
CID 6914611
5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole
CID 9800737

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxyphenyl)-N-[1-[1-(1-methylindol-5-yl)isoquinolin-3-yl]ethyl]ethanamine?
The IUPAC name of (1R)-1-(3-methoxyphenyl)-N-[1-[1-(1-methylindol-5-yl)isoquinolin-3-yl]ethyl]ethanamine (CID 126669765) is (1R)-1-(3-methoxyphenyl)-N-[1-[1-(1-methylindol-5-yl)isoquinolin-3-yl]ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-methoxyphenyl)-N-[1-[1-(1-methylindol-5-yl)isoquinolin-3-yl]ethyl]ethanamine?
The canonical SMILES for (1R)-1-(3-methoxyphenyl)-N-[1-[1-(1-methylindol-5-yl)isoquinolin-3-yl]ethyl]ethanamine is COc1cccc([C@@H](C)NC(C)c2cc3ccccc3c(-c3ccc4c(ccn4C)c3)n2)c1.
What is the InChIKey of (1R)-1-(3-methoxyphenyl)-N-[1-[1-(1-methylindol-5-yl)isoquinolin-3-yl]ethyl]ethanamine?
The InChIKey is LSZRAYHBEFTJMX-FIWHBWSRSA-N. The full InChI is InChI=1S/C29H29N3O/c1-19(21-9-7-10-25(17-21)33-4)30-20(2)27-18-22-8-5-6-11-26(22)29(31-27)24-12-13-28-23(16-24)14-15-32(28)3/h5-20,30H,1-4H3/t19-,20?/m1/s1.
What are the key properties of (1R)-1-(3-methoxyphenyl)-N-[1-[1-(1-methylindol-5-yl)isoquinolin-3-yl]ethyl]ethanamine?
(1R)-1-(3-methoxyphenyl)-N-[1-[1-(1-methylindol-5-yl)isoquinolin-3-yl]ethyl]ethanamine has a molecular weight of 435.57 g/mol, XLogP of 6.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methoxyphenyl)-N-[1-[1-(1-methylindol-5-yl)isoquinolin-3-yl]ethyl]ethanamine is sourced from PubChem (CID 126669765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).