1-N-(2,3-dihydro-1H-inden-2-yl)-3-propoxybenzene-1,2-diamine

C18H22N2O — CID 107844538

IUPAC1-N-(2,3-dihydro-1H-inden-2-yl)-3-propoxybenzene-1,2-diamine
SMILESCCCOc1cccc(NC2Cc3ccccc3C2)c1N
InChIInChI=1S/C18H22N2O/c1-2-10-21-17-9-5-8-16(18(17)19)20-15-11-13-6-3-4-7-14(13)12-15/h3-9,15,20H,2,10-12,19H2,1H3
InChIKeyVPNOCRRQDGARGV-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.64
Rot. Bonds5

About 1-N-(2,3-dihydro-1H-inden-2-yl)-3-propoxybenzene-1,2-diamine

1-N-(2,3-dihydro-1H-inden-2-yl)-3-propoxybenzene-1,2-diamine (PubChem CID 107844538) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-N-(2,3-dihydro-1H-inden-2-yl)-3-propoxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,3-dihydro-1H-inden-2-yl)-3-propoxybenzene-1,2-diamine
PubChem CID107844538
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-N-(2,3-dihydro-1H-inden-2-yl)-3-propoxybenzene-1,2-diamine
SMILESCCCOc1cccc(NC2Cc3ccccc3C2)c1N
InChIInChI=1S/C18H22N2O/c1-2-10-21-17-9-5-8-16(18(17)19)20-15-11-13-6-3-4-7-14(13)12-15/h3-9,15,20H,2,10-12,19H2,1H3
InChIKeyVPNOCRRQDGARGV-UHFFFAOYSA-N
XLogP3.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-(oxan-4-yl)-3-propoxybenzene-1,2-diamine
CID 113393325
N-cyclohexyl-2-propoxyaniline
CID 43682292
4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine
CID 79724258
N-(2-propylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 43687471
2-(2-amino-3-propoxyanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845644
N-(2-propoxyphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149009
2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998703
N-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 43730188
2-(2-cyclobutylethoxy)-6-propoxyaniline
CID 106199742
N-(3,3-dimethylcyclopentyl)-2-propoxyaniline
CID 80705624
5-(2-amino-3-propoxyanilino)pentan-1-ol
CID 107316474
N-(2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine
CID 43512758

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-dihydro-1H-inden-2-yl)-3-propoxybenzene-1,2-diamine?
The IUPAC name of 1-N-(2,3-dihydro-1H-inden-2-yl)-3-propoxybenzene-1,2-diamine (CID 107844538) is 1-N-(2,3-dihydro-1H-inden-2-yl)-3-propoxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2,3-dihydro-1H-inden-2-yl)-3-propoxybenzene-1,2-diamine?
The canonical SMILES for 1-N-(2,3-dihydro-1H-inden-2-yl)-3-propoxybenzene-1,2-diamine is CCCOc1cccc(NC2Cc3ccccc3C2)c1N.
What is the InChIKey of 1-N-(2,3-dihydro-1H-inden-2-yl)-3-propoxybenzene-1,2-diamine?
The InChIKey is VPNOCRRQDGARGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-10-21-17-9-5-8-16(18(17)19)20-15-11-13-6-3-4-7-14(13)12-15/h3-9,15,20H,2,10-12,19H2,1H3.
What are the key properties of 1-N-(2,3-dihydro-1H-inden-2-yl)-3-propoxybenzene-1,2-diamine?
1-N-(2,3-dihydro-1H-inden-2-yl)-3-propoxybenzene-1,2-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dihydro-1H-inden-2-yl)-3-propoxybenzene-1,2-diamine is sourced from PubChem (CID 107844538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).