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

C17H22N2O — CID 66241809

IUPAC1-[1-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydroindol-4-amine
SMILESCOc1ccc(C(C)n2ccc3c2CCCC3N)cc1
InChIInChI=1S/C17H22N2O/c1-12(13-6-8-14(20-2)9-7-13)19-11-10-15-16(18)4-3-5-17(15)19/h6-12,16H,3-5,18H2,1-2H3
InChIKeyOIJBKCSDHHNYFI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.44
Rot. Bonds3

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

1-[1-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 66241809) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydroindol-4-amine
PubChem CID66241809
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[1-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydroindol-4-amine
SMILESCOc1ccc(C(C)n2ccc3c2CCCC3N)cc1
InChIInChI=1S/C17H22N2O/c1-12(13-6-8-14(20-2)9-7-13)19-11-10-15-16(18)4-3-5-17(15)19/h6-12,16H,3-5,18H2,1-2H3
InChIKeyOIJBKCSDHHNYFI-UHFFFAOYSA-N
XLogP3.44
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.44
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]-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydroindol-4-amine (CID 66241809) is 1-[1-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydroindol-4-amine is COc1ccc(C(C)n2ccc3c2CCCC3N)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is OIJBKCSDHHNYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(13-6-8-14(20-2)9-7-13)19-11-10-15-16(18)4-3-5-17(15)19/h6-12,16H,3-5,18H2,1-2H3.
What are the key properties of 1-[1-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydroindol-4-amine?
1-[1-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 270.38 g/mol, XLogP of 3.44, 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]-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 66241809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).