N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline

C18H21NO — CID 62599410

IUPACN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline
SMILESCc1ccc(NCCOc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H21NO/c1-14-5-8-17(9-6-14)19-11-12-20-18-10-7-15-3-2-4-16(15)13-18/h5-10,13,19H,2-4,11-12H2,1H3
InChIKeyUBOJNWCFQRPGNL-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.97
Rot. Bonds5

About N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline (PubChem CID 62599410) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline
PubChem CID62599410
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline
SMILESCc1ccc(NCCOc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H21NO/c1-14-5-8-17(9-6-14)19-11-12-20-18-10-7-15-3-2-4-16(15)13-18/h5-10,13,19H,2-4,11-12H2,1H3
InChIKeyUBOJNWCFQRPGNL-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide
CID 113101431
3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline
CID 63515935
5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]pyridin-3-amine
CID 167784582
2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101573
2,5-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide
CID 113101603
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332
N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087
N-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine
CID 60679696
N-[2-(3-bromo-4-fluorophenoxy)ethyl]-4-methylaniline
CID 83235093
N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine
CID 62458571

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline (CID 62599410) is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline is Cc1ccc(NCCOc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline?
The InChIKey is UBOJNWCFQRPGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14-5-8-17(9-6-14)19-11-12-20-18-10-7-15-3-2-4-16(15)13-18/h5-10,13,19H,2-4,11-12H2,1H3.
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline?
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline has a molecular weight of 267.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline is sourced from PubChem (CID 62599410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).