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

C15H22N2O — CID 84741796

IUPAC2-(7-methoxy-5-methyl-2-propan-2-yl-1H-indol-3-yl)ethanamine
SMILESCOc1cc(C)cc2c(CCN)c(C(C)C)[nH]c12
InChIInChI=1S/C15H22N2O/c1-9(2)14-11(5-6-16)12-7-10(3)8-13(18-4)15(12)17-14/h7-9,17H,5-6,16H2,1-4H3
InChIKeyJLEIDTKNHRBOSC-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.11
Rot. Bonds4

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

2-(7-methoxy-5-methyl-2-propan-2-yl-1H-indol-3-yl)ethanamine (PubChem CID 84741796) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(7-methoxy-5-methyl-2-propan-2-yl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(7-methoxy-5-methyl-2-propan-2-yl-1H-indol-3-yl)ethanamine
PubChem CID84741796
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(7-methoxy-5-methyl-2-propan-2-yl-1H-indol-3-yl)ethanamine
SMILESCOc1cc(C)cc2c(CCN)c(C(C)C)[nH]c12
InChIInChI=1S/C15H22N2O/c1-9(2)14-11(5-6-16)12-7-10(3)8-13(18-4)15(12)17-14/h7-9,17H,5-6,16H2,1-4H3
InChIKeyJLEIDTKNHRBOSC-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile
CID 82492794
2-(6-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine
CID 105472777
N-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine
CID 96675406
2-(7-methoxy-5-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82498302
8-methoxy-2,6-dimethyl-1H-quinolin-4-one
CID 54773037
(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962
1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone
CID 82493293
2-(6-methoxy-2,8-dimethyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-10-yl)ethanamine
CID 84743241
2-[(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-amine
CID 116931118
2-(4-methoxy-2,7-dimethyl-1H-indol-3-yl)ethanamine
CID 105472778
2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine
CID 96618492

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-5-methyl-2-propan-2-yl-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(7-methoxy-5-methyl-2-propan-2-yl-1H-indol-3-yl)ethanamine (CID 84741796) is 2-(7-methoxy-5-methyl-2-propan-2-yl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(7-methoxy-5-methyl-2-propan-2-yl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(7-methoxy-5-methyl-2-propan-2-yl-1H-indol-3-yl)ethanamine is COc1cc(C)cc2c(CCN)c(C(C)C)[nH]c12.
What is the InChIKey of 2-(7-methoxy-5-methyl-2-propan-2-yl-1H-indol-3-yl)ethanamine?
The InChIKey is JLEIDTKNHRBOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-9(2)14-11(5-6-16)12-7-10(3)8-13(18-4)15(12)17-14/h7-9,17H,5-6,16H2,1-4H3.
What are the key properties of 2-(7-methoxy-5-methyl-2-propan-2-yl-1H-indol-3-yl)ethanamine?
2-(7-methoxy-5-methyl-2-propan-2-yl-1H-indol-3-yl)ethanamine has a molecular weight of 246.35 g/mol, XLogP of 3.11, 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-2-propan-2-yl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 84741796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).