1-[1-(4-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine

C18H24N2O — CID 66241810

IUPAC1-[1-(4-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine
SMILESCOc1ccc(C(C)n2c(C)cc3c2CCCC3N)cc1
InChIInChI=1S/C18H24N2O/c1-12-11-16-17(19)5-4-6-18(16)20(12)13(2)14-7-9-15(21-3)10-8-14/h7-11,13,17H,4-6,19H2,1-3H3
InChIKeyISCZUWZPVYXXEN-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.75
Rot. Bonds3

About 1-[1-(4-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine

1-[1-(4-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 66241810) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine
PubChem CID66241810
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[1-(4-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine
SMILESCOc1ccc(C(C)n2c(C)cc3c2CCCC3N)cc1
InChIInChI=1S/C18H24N2O/c1-12-11-16-17(19)5-4-6-18(16)20(12)13(2)14-7-9-15(21-3)10-8-14/h7-11,13,17H,4-6,19H2,1-3H3
InChIKeyISCZUWZPVYXXEN-UHFFFAOYSA-N
XLogP3.75
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine (CID 66241810) is 1-[1-(4-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine is COc1ccc(C(C)n2c(C)cc3c2CCCC3N)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is ISCZUWZPVYXXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-11-16-17(19)5-4-6-18(16)20(12)13(2)14-7-9-15(21-3)10-8-14/h7-11,13,17H,4-6,19H2,1-3H3.
What are the key properties of 1-[1-(4-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine?
1-[1-(4-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 284.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 66241810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).