2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)aniline

C15H14ClNO — CID 113458730

IUPAC2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)aniline
SMILESNc1c(Cl)cccc1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C15H14ClNO/c16-13-5-2-6-14(15(13)17)18-12-8-7-10-3-1-4-11(10)9-12/h2,5-9H,1,3-4,17H2
InChIKeyDKBFZLADDDKYIC-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.20
Rot. Bonds2

About 2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)aniline

2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)aniline (PubChem CID 113458730) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)aniline.

Molecular Properties

Compound Name2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)aniline
PubChem CID113458730
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)aniline
SMILESNc1c(Cl)cccc1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C15H14ClNO/c16-13-5-2-6-14(15(13)17)18-12-8-7-10-3-1-4-11(10)9-12/h2,5-9H,1,3-4,17H2
InChIKeyDKBFZLADDDKYIC-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(bromomethyl)-3-chlorophenoxy]-1,2,3,4-tetrahydronaphthalene
CID 107088177
2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline
CID 115555267
6-(3-chloro-2-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene
CID 104835398
2-chloro-6-(3,4-dimethylphenoxy)aniline
CID 104834930
4-(2,3-dihydro-1H-inden-5-yloxy)quinolin-8-amine
CID 83066371
(1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 63540494
5-[2-(bromomethyl)-5-chlorophenoxy]-2,3-dihydro-1H-indene
CID 107087384
(1R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 55183055
N-[[2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]cyclopropanamine
CID 43283536
6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene
CID 143273839
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde
CID 55224942
2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide
CID 76981546

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)aniline?
The IUPAC name of 2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)aniline (CID 113458730) is 2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)aniline.
What is the SMILES notation for 2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)aniline?
The canonical SMILES for 2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)aniline is Nc1c(Cl)cccc1Oc1ccc2c(c1)CCC2.
What is the InChIKey of 2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)aniline?
The InChIKey is DKBFZLADDDKYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-13-5-2-6-14(15(13)17)18-12-8-7-10-3-1-4-11(10)9-12/h2,5-9H,1,3-4,17H2.
What are the key properties of 2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)aniline?
2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)aniline has a molecular weight of 259.74 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)aniline is sourced from PubChem (CID 113458730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).