2-(5-methoxy-1,3,7-trimethylindol-2-yl)propan-2-amine

C15H22N2O — CID 84632481

IUPAC2-(5-methoxy-1,3,7-trimethylindol-2-yl)propan-2-amine
SMILESCOc1cc(C)c2c(c1)c(C)c(C(C)(C)N)n2C
InChIInChI=1S/C15H22N2O/c1-9-7-11(18-6)8-12-10(2)14(15(3,4)16)17(5)13(9)12/h7-8H,16H2,1-6H3
InChIKeyJQFUGETVHHHYBL-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.00
Rot. Bonds2

About 2-(5-methoxy-1,3,7-trimethylindol-2-yl)propan-2-amine

2-(5-methoxy-1,3,7-trimethylindol-2-yl)propan-2-amine (PubChem CID 84632481) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(5-methoxy-1,3,7-trimethylindol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(5-methoxy-1,3,7-trimethylindol-2-yl)propan-2-amine
PubChem CID84632481
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(5-methoxy-1,3,7-trimethylindol-2-yl)propan-2-amine
SMILESCOc1cc(C)c2c(c1)c(C)c(C(C)(C)N)n2C
InChIInChI=1S/C15H22N2O/c1-9-7-11(18-6)8-12-10(2)14(15(3,4)16)17(5)13(9)12/h7-8H,16H2,1-6H3
InChIKeyJQFUGETVHHHYBL-UHFFFAOYSA-N
XLogP3.00
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-2,6-dimethylphenyl)propan-2-amine
CID 82048609
(5-methoxy-1,7-dimethyl-2-propan-2-ylindol-3-yl)methanamine
CID 84741800
5-(5-methoxy-1,7-dimethylindol-3-yl)-1,2-oxazol-3-amine
CID 84742378
6-methoxy-3,3,8,9-tetramethyl-2,4-dihydro-1H-pyrido[3,4-b]indole
CID 84742504
2-(1,3,4,6-tetramethylindol-2-yl)propan-2-amine
CID 84626410
5-methoxy-1-[2-(5-methoxy-2,3-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene
CID 20693410
2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine
CID 82495876
(4-methoxy-2,6-dimethylphenyl)methanamine
CID 82266532
2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine
CID 82498803
5-methoxy-1,7-dimethylindole-2-carbaldehyde
CID 105455211
methyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate
CID 15395202
3-(6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
CID 96679696

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1,3,7-trimethylindol-2-yl)propan-2-amine?
The IUPAC name of 2-(5-methoxy-1,3,7-trimethylindol-2-yl)propan-2-amine (CID 84632481) is 2-(5-methoxy-1,3,7-trimethylindol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(5-methoxy-1,3,7-trimethylindol-2-yl)propan-2-amine?
The canonical SMILES for 2-(5-methoxy-1,3,7-trimethylindol-2-yl)propan-2-amine is COc1cc(C)c2c(c1)c(C)c(C(C)(C)N)n2C.
What is the InChIKey of 2-(5-methoxy-1,3,7-trimethylindol-2-yl)propan-2-amine?
The InChIKey is JQFUGETVHHHYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-9-7-11(18-6)8-12-10(2)14(15(3,4)16)17(5)13(9)12/h7-8H,16H2,1-6H3.
What are the key properties of 2-(5-methoxy-1,3,7-trimethylindol-2-yl)propan-2-amine?
2-(5-methoxy-1,3,7-trimethylindol-2-yl)propan-2-amine has a molecular weight of 246.35 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1,3,7-trimethylindol-2-yl)propan-2-amine is sourced from PubChem (CID 84632481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).