2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine

C12H16N2O — CID 96618492

IUPAC2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine
SMILESCOc1cc(CCN)cc2c(C)c[nH]c12
InChIInChI=1S/C12H16N2O/c1-8-7-14-12-10(8)5-9(3-4-13)6-11(12)15-2/h5-7,14H,3-4,13H2,1-2H3
InChIKeyKYSSRDDPHUBQHP-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.99
Rot. Bonds3

About 2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine

2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine (PubChem CID 96618492) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine
PubChem CID96618492
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine
SMILESCOc1cc(CCN)cc2c(C)c[nH]c12
InChIInChI=1S/C12H16N2O/c1-8-7-14-12-10(8)5-9(3-4-13)6-11(12)15-2/h5-7,14H,3-4,13H2,1-2H3
InChIKeyKYSSRDDPHUBQHP-UHFFFAOYSA-N
XLogP1.99
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(7-methoxy-3-methyl-1H-indol-5-yl)prop-2-en-1-amine
CID 117308381
7-methoxy-3-methyl-1H-indol-5-ol
CID 84655900
7-methoxy-3-methyl-5-(piperidin-2-ylmethyl)-1H-indole
CID 117399744
2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine
CID 18702266
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
1-(7-methoxy-3-methyl-1H-indol-5-yl)cyclopropan-1-ol
CID 117309477
3-(7-methoxy-3-methyl-1H-indol-5-yl)-3-methylbutanoic acid
CID 117407550
5-methoxy-3,7-dimethyl-1H-indole
CID 82490544
2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride
CID 146049973
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine
CID 54930550
5,7-dimethoxy-1H-indol-3-amine
CID 82402843

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine?
The IUPAC name of 2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine (CID 96618492) is 2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine.
What is the SMILES notation for 2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine?
The canonical SMILES for 2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine is COc1cc(CCN)cc2c(C)c[nH]c12.
What is the InChIKey of 2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine?
The InChIKey is KYSSRDDPHUBQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-7-14-12-10(8)5-9(3-4-13)6-11(12)15-2/h5-7,14H,3-4,13H2,1-2H3.
What are the key properties of 2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine?
2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine has a molecular weight of 204.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine is sourced from PubChem (CID 96618492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).