(E)-3-(7-methoxy-3-methyl-1H-indol-5-yl)prop-2-en-1-amine

C13H16N2O — CID 117308381

IUPAC(E)-3-(7-methoxy-3-methyl-1H-indol-5-yl)prop-2-en-1-amine
SMILESCOc1cc(/C=C/CN)cc2c(C)c[nH]c12
InChIInChI=1S/C13H16N2O/c1-9-8-15-13-11(9)6-10(4-3-5-14)7-12(13)16-2/h3-4,6-8,15H,5,14H2,1-2H3/b4-3+
InChIKeyRNKVAWQZXNTVBU-ONEGZZNKSA-N
MW216.28 g/mol
LogP2.46
Rot. Bonds3

About (E)-3-(7-methoxy-3-methyl-1H-indol-5-yl)prop-2-en-1-amine

(E)-3-(7-methoxy-3-methyl-1H-indol-5-yl)prop-2-en-1-amine (PubChem CID 117308381) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (E)-3-(7-methoxy-3-methyl-1H-indol-5-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(7-methoxy-3-methyl-1H-indol-5-yl)prop-2-en-1-amine
PubChem CID117308381
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(E)-3-(7-methoxy-3-methyl-1H-indol-5-yl)prop-2-en-1-amine
SMILESCOc1cc(/C=C/CN)cc2c(C)c[nH]c12
InChIInChI=1S/C13H16N2O/c1-9-8-15-13-11(9)6-10(4-3-5-14)7-12(13)16-2/h3-4,6-8,15H,5,14H2,1-2H3/b4-3+
InChIKeyRNKVAWQZXNTVBU-ONEGZZNKSA-N
XLogP2.46
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol
CID 117283631
2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine
CID 96618492
(E)-3-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117285338
7-methoxy-3-methyl-1H-indol-5-ol
CID 84655900
(E)-3-[3-(fluoromethyl)-4,5-dimethoxyphenyl]prop-2-en-1-amine
CID 117323427
(E)-3-[3-(difluoromethyl)-4,5-dimethoxyphenyl]prop-2-en-1-amine
CID 117359380
4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol
CID 169464704
(E)-3-(3-bromo-5-methoxy-4-propan-2-ylphenyl)prop-2-en-1-amine
CID 117457050
(E)-3-(2,4-dimethoxy-3,6-dimethylphenyl)prop-2-en-1-amine
CID 117316453
5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol
CID 117319602
4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol
CID 117369569
3-(7-methoxy-3-methyl-1H-indol-5-yl)-3-methylbutanoic acid
CID 117407550

Frequently Asked Questions

What is the IUPAC name of (E)-3-(7-methoxy-3-methyl-1H-indol-5-yl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(7-methoxy-3-methyl-1H-indol-5-yl)prop-2-en-1-amine (CID 117308381) is (E)-3-(7-methoxy-3-methyl-1H-indol-5-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(7-methoxy-3-methyl-1H-indol-5-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(7-methoxy-3-methyl-1H-indol-5-yl)prop-2-en-1-amine is COc1cc(/C=C/CN)cc2c(C)c[nH]c12.
What is the InChIKey of (E)-3-(7-methoxy-3-methyl-1H-indol-5-yl)prop-2-en-1-amine?
The InChIKey is RNKVAWQZXNTVBU-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-8-15-13-11(9)6-10(4-3-5-14)7-12(13)16-2/h3-4,6-8,15H,5,14H2,1-2H3/b4-3+.
What are the key properties of (E)-3-(7-methoxy-3-methyl-1H-indol-5-yl)prop-2-en-1-amine?
(E)-3-(7-methoxy-3-methyl-1H-indol-5-yl)prop-2-en-1-amine has a molecular weight of 216.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(7-methoxy-3-methyl-1H-indol-5-yl)prop-2-en-1-amine is sourced from PubChem (CID 117308381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).