(5-methoxy-1,7-dimethyl-2-propan-2-ylindol-3-yl)methanamine

C15H22N2O — CID 84741800

IUPAC(5-methoxy-1,7-dimethyl-2-propan-2-ylindol-3-yl)methanamine
SMILESCOc1cc(C)c2c(c1)c(CN)c(C(C)C)n2C
InChIInChI=1S/C15H22N2O/c1-9(2)14-13(8-16)12-7-11(18-5)6-10(3)15(12)17(14)4/h6-7,9H,8,16H2,1-5H3
InChIKeyIFHLBCSMHJOMPT-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.08
Rot. Bonds3

About (5-methoxy-1,7-dimethyl-2-propan-2-ylindol-3-yl)methanamine

(5-methoxy-1,7-dimethyl-2-propan-2-ylindol-3-yl)methanamine (PubChem CID 84741800) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (5-methoxy-1,7-dimethyl-2-propan-2-ylindol-3-yl)methanamine.

Molecular Properties

Compound Name(5-methoxy-1,7-dimethyl-2-propan-2-ylindol-3-yl)methanamine
PubChem CID84741800
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(5-methoxy-1,7-dimethyl-2-propan-2-ylindol-3-yl)methanamine
SMILESCOc1cc(C)c2c(c1)c(CN)c(C(C)C)n2C
InChIInChI=1S/C15H22N2O/c1-9(2)14-13(8-16)12-7-11(18-5)6-10(3)15(12)17(14)4/h6-7,9H,8,16H2,1-5H3
InChIKeyIFHLBCSMHJOMPT-UHFFFAOYSA-N
XLogP3.08
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-2,6-dimethylphenyl)methanamine
CID 82266532
2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine
CID 82495876
2-(5-methoxy-1,3,7-trimethylindol-2-yl)propan-2-amine
CID 84632481
6-methoxy-3,3,8,9-tetramethyl-2,4-dihydro-1H-pyrido[3,4-b]indole
CID 84742504
2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82501140
(1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 84671774
2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine
CID 82493655
(5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine
CID 83860104
3-(6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
CID 96679696
(4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine
CID 84665068
1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one
CID 82500836
1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine
CID 82495879

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1,7-dimethyl-2-propan-2-ylindol-3-yl)methanamine?
The IUPAC name of (5-methoxy-1,7-dimethyl-2-propan-2-ylindol-3-yl)methanamine (CID 84741800) is (5-methoxy-1,7-dimethyl-2-propan-2-ylindol-3-yl)methanamine.
What is the SMILES notation for (5-methoxy-1,7-dimethyl-2-propan-2-ylindol-3-yl)methanamine?
The canonical SMILES for (5-methoxy-1,7-dimethyl-2-propan-2-ylindol-3-yl)methanamine is COc1cc(C)c2c(c1)c(CN)c(C(C)C)n2C.
What is the InChIKey of (5-methoxy-1,7-dimethyl-2-propan-2-ylindol-3-yl)methanamine?
The InChIKey is IFHLBCSMHJOMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-9(2)14-13(8-16)12-7-11(18-5)6-10(3)15(12)17(14)4/h6-7,9H,8,16H2,1-5H3.
What are the key properties of (5-methoxy-1,7-dimethyl-2-propan-2-ylindol-3-yl)methanamine?
(5-methoxy-1,7-dimethyl-2-propan-2-ylindol-3-yl)methanamine has a molecular weight of 246.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1,7-dimethyl-2-propan-2-ylindol-3-yl)methanamine is sourced from PubChem (CID 84741800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).