2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine

C17H19NO — CID 62800564

IUPAC2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine
SMILESCCOc1ccccc1C1(N)Cc2ccccc2C1
InChIInChI=1S/C17H19NO/c1-2-19-16-10-6-5-9-15(16)17(18)11-13-7-3-4-8-14(13)12-17/h3-10H,2,11-12,18H2,1H3
InChIKeyPXCBXFGSCHFYFV-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.04
Rot. Bonds3

About 2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine

2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine (PubChem CID 62800564) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine
PubChem CID62800564
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine
SMILESCCOc1ccccc1C1(N)Cc2ccccc2C1
InChIInChI=1S/C17H19NO/c1-2-19-16-10-6-5-9-15(16)17(18)11-13-7-3-4-8-14(13)12-17/h3-10H,2,11-12,18H2,1H3
InChIKeyPXCBXFGSCHFYFV-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine?
The IUPAC name of 2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine (CID 62800564) is 2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine is CCOc1ccccc1C1(N)Cc2ccccc2C1.
What is the InChIKey of 2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine?
The InChIKey is PXCBXFGSCHFYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-19-16-10-6-5-9-15(16)17(18)11-13-7-3-4-8-14(13)12-17/h3-10H,2,11-12,18H2,1H3.
What are the key properties of 2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine?
2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine has a molecular weight of 253.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine is sourced from PubChem (CID 62800564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).