2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-5-methylaniline

C18H21NO2 — CID 39383274

IUPAC2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-5-methylaniline
SMILESCc1ccc(OCCOc2ccc3c(c2)CCC3)c(N)c1
InChIInChI=1S/C18H21NO2/c1-13-5-8-18(17(19)11-13)21-10-9-20-16-7-6-14-3-2-4-15(14)12-16/h5-8,11-12H,2-4,9-10,19H2,1H3
InChIKeyHHKLKWFJMGYUMO-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.52
Rot. Bonds5

About 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-5-methylaniline

2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-5-methylaniline (PubChem CID 39383274) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-5-methylaniline.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-5-methylaniline
PubChem CID39383274
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-5-methylaniline
SMILESCc1ccc(OCCOc2ccc3c(c2)CCC3)c(N)c1
InChIInChI=1S/C18H21NO2/c1-13-5-8-18(17(19)11-13)21-10-9-20-16-7-6-14-3-2-4-15(14)12-16/h5-8,11-12H,2-4,9-10,19H2,1H3
InChIKeyHHKLKWFJMGYUMO-UHFFFAOYSA-N
XLogP3.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-4-methylaniline
CID 39383275
2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371047
2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline
CID 39361246
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline
CID 62599410
5-methyl-2-(3-phenoxypropoxy)aniline
CID 62056343
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline
CID 39387000
2,5-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide
CID 113101603
3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600
3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
CID 7380399
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371046

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-5-methylaniline?
The IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-5-methylaniline (CID 39383274) is 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-5-methylaniline.
What is the SMILES notation for 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-5-methylaniline?
The canonical SMILES for 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-5-methylaniline is Cc1ccc(OCCOc2ccc3c(c2)CCC3)c(N)c1.
What is the InChIKey of 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-5-methylaniline?
The InChIKey is HHKLKWFJMGYUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-5-8-18(17(19)11-13)21-10-9-20-16-7-6-14-3-2-4-15(14)12-16/h5-8,11-12H,2-4,9-10,19H2,1H3.
What are the key properties of 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-5-methylaniline?
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-5-methylaniline has a molecular weight of 283.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-5-methylaniline is sourced from PubChem (CID 39383274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).