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

C17H19NO — CID 62622533

IUPAC2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine
SMILESNC1(CCOc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C17H19NO/c18-17(10-11-19-16-8-2-1-3-9-16)12-14-6-4-5-7-15(14)13-17/h1-9H,10-13,18H2
InChIKeyUTOODQVEOUCLJW-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.95
Rot. Bonds4

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

2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine (PubChem CID 62622533) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine
PubChem CID62622533
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine
SMILESNC1(CCOc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C17H19NO/c18-17(10-11-19-16-8-2-1-3-9-16)12-14-6-4-5-7-15(14)13-17/h1-9H,10-13,18H2
InChIKeyUTOODQVEOUCLJW-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64573978
[1-(3-phenoxypropyl)cyclopropyl]methanamine
CID 66026187
1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid
CID 66025511
2-phenoxyethylmercury
CID 163598363
[1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride
CID 170900192
1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine
CID 28918025
4-[2-(4-phenoxyphenoxy)ethyl]-1-azabicyclo[2.2.1]heptane
CID 70068630
6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol
CID 79331034
7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol
CID 79330747
N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]ethanamine
CID 66023995

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine?
The IUPAC name of 2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine (CID 62622533) is 2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine is NC1(CCOc2ccccc2)Cc2ccccc2C1.
What is the InChIKey of 2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine?
The InChIKey is UTOODQVEOUCLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c18-17(10-11-19-16-8-2-1-3-9-16)12-14-6-4-5-7-15(14)13-17/h1-9H,10-13,18H2.
What are the key properties of 2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine?
2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine has a molecular weight of 253.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine is sourced from PubChem (CID 62622533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).