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

C15H22N2O — CID 82498302

IUPAC2-(7-methoxy-5-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
SMILESCOc1cc(C)cc2c(C(CN)C(C)C)c[nH]c12
InChIInChI=1S/C15H22N2O/c1-9(2)12(7-16)13-8-17-15-11(13)5-10(3)6-14(15)18-4/h5-6,8-9,12,17H,7,16H2,1-4H3
InChIKeyYRATXTBAJLFCIO-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.18
Rot. Bonds4

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

2-(7-methoxy-5-methyl-1H-indol-3-yl)-3-methylbutan-1-amine (PubChem CID 82498302) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(7-methoxy-5-methyl-1H-indol-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(7-methoxy-5-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
PubChem CID82498302
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(7-methoxy-5-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
SMILESCOc1cc(C)cc2c(C(CN)C(C)C)c[nH]c12
InChIInChI=1S/C15H22N2O/c1-9(2)12(7-16)13-8-17-15-11(13)5-10(3)6-14(15)18-4/h5-6,8-9,12,17H,7,16H2,1-4H3
InChIKeyYRATXTBAJLFCIO-UHFFFAOYSA-N
XLogP3.18
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-methoxy-5-methyl-1H-indol-3-yl)propan-1-amine
CID 82493647
2-(6-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82501743
2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 82395562
2-(7-methoxy-5-methyl-2-propan-2-yl-1H-indol-3-yl)ethanamine
CID 84741796
[1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine
CID 96679652
2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine
CID 116931118
2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine
CID 82493655
4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one
CID 82495434
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine
CID 82078103
2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine
CID 96618492
7-methoxy-5-methyl-3-(piperidin-2-ylmethyl)-1H-indole
CID 84637367
7-methoxy-3-methyl-1H-indol-5-ol
CID 84655900

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-5-methyl-1H-indol-3-yl)-3-methylbutan-1-amine?
The IUPAC name of 2-(7-methoxy-5-methyl-1H-indol-3-yl)-3-methylbutan-1-amine (CID 82498302) is 2-(7-methoxy-5-methyl-1H-indol-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(7-methoxy-5-methyl-1H-indol-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(7-methoxy-5-methyl-1H-indol-3-yl)-3-methylbutan-1-amine is COc1cc(C)cc2c(C(CN)C(C)C)c[nH]c12.
What is the InChIKey of 2-(7-methoxy-5-methyl-1H-indol-3-yl)-3-methylbutan-1-amine?
The InChIKey is YRATXTBAJLFCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-9(2)12(7-16)13-8-17-15-11(13)5-10(3)6-14(15)18-4/h5-6,8-9,12,17H,7,16H2,1-4H3.
What are the key properties of 2-(7-methoxy-5-methyl-1H-indol-3-yl)-3-methylbutan-1-amine?
2-(7-methoxy-5-methyl-1H-indol-3-yl)-3-methylbutan-1-amine has a molecular weight of 246.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-5-methyl-1H-indol-3-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 82498302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).