2-[3-(2,3-dihydro-1H-inden-1-ylamino)phenoxy]acetonitrile

C17H16N2O — CID 43721237

IUPAC2-[3-(2,3-dihydro-1H-inden-1-ylamino)phenoxy]acetonitrile
SMILESN#CCOc1cccc(NC2CCc3ccccc32)c1
InChIInChI=1S/C17H16N2O/c18-10-11-20-15-6-3-5-14(12-15)19-17-9-8-13-4-1-2-7-16(13)17/h1-7,12,17,19H,8-9,11H2
InChIKeyGUESMBRRLMXKEZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.69
Rot. Bonds4

About 2-[3-(2,3-dihydro-1H-inden-1-ylamino)phenoxy]acetonitrile

2-[3-(2,3-dihydro-1H-inden-1-ylamino)phenoxy]acetonitrile (PubChem CID 43721237) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1H-inden-1-ylamino)phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1H-inden-1-ylamino)phenoxy]acetonitrile
PubChem CID43721237
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-[3-(2,3-dihydro-1H-inden-1-ylamino)phenoxy]acetonitrile
SMILESN#CCOc1cccc(NC2CCc3ccccc32)c1
InChIInChI=1S/C17H16N2O/c18-10-11-20-15-6-3-5-14(12-15)19-17-9-8-13-4-1-2-7-16(13)17/h1-7,12,17,19H,8-9,11H2
InChIKeyGUESMBRRLMXKEZ-UHFFFAOYSA-N
XLogP3.69
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenoxy]acetonitrile
CID 82010776
2-[3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]phenoxy]acetonitrile
CID 43721285
N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 43672235
1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79730721
2-[3-[(4-ethylcyclohexyl)amino]phenoxy]acetonitrile
CID 43721135
2-[3-[(3-methylcyclohexyl)amino]phenoxy]acetonitrile
CID 43721143
2-[3-[(3-aminocyclohexyl)amino]phenoxy]acetonitrile
CID 79458944
2-[3-(oxepan-4-ylamino)phenoxy]acetonitrile
CID 65081691
1-(3-propoxyanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682035
N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191383
2-[3-[(2,2-dimethylcyclopentyl)amino]phenoxy]acetonitrile
CID 79860485
3-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43202872

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1H-inden-1-ylamino)phenoxy]acetonitrile?
The IUPAC name of 2-[3-(2,3-dihydro-1H-inden-1-ylamino)phenoxy]acetonitrile (CID 43721237) is 2-[3-(2,3-dihydro-1H-inden-1-ylamino)phenoxy]acetonitrile.
What is the SMILES notation for 2-[3-(2,3-dihydro-1H-inden-1-ylamino)phenoxy]acetonitrile?
The canonical SMILES for 2-[3-(2,3-dihydro-1H-inden-1-ylamino)phenoxy]acetonitrile is N#CCOc1cccc(NC2CCc3ccccc32)c1.
What is the InChIKey of 2-[3-(2,3-dihydro-1H-inden-1-ylamino)phenoxy]acetonitrile?
The InChIKey is GUESMBRRLMXKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c18-10-11-20-15-6-3-5-14(12-15)19-17-9-8-13-4-1-2-7-16(13)17/h1-7,12,17,19H,8-9,11H2.
What are the key properties of 2-[3-(2,3-dihydro-1H-inden-1-ylamino)phenoxy]acetonitrile?
2-[3-(2,3-dihydro-1H-inden-1-ylamino)phenoxy]acetonitrile has a molecular weight of 264.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1H-inden-1-ylamino)phenoxy]acetonitrile is sourced from PubChem (CID 43721237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).