2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline

C16H16ClNO — CID 115555267

IUPAC2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline
SMILESCc1cc(N)c(Cl)cc1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C16H16ClNO/c1-10-7-15(18)14(17)9-16(10)19-13-6-5-11-3-2-4-12(11)8-13/h5-9H,2-4,18H2,1H3
InChIKeyGZUSKWDJIGTFDO-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.51
Rot. Bonds2

About 2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline

2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline (PubChem CID 115555267) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline.

Molecular Properties

Compound Name2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline
PubChem CID115555267
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline
SMILESCc1cc(N)c(Cl)cc1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C16H16ClNO/c1-10-7-15(18)14(17)9-16(10)19-13-6-5-11-3-2-4-12(11)8-13/h5-9H,2-4,18H2,1H3
InChIKeyGZUSKWDJIGTFDO-UHFFFAOYSA-N
XLogP4.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.51
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

2-chloro-4-(4-fluorophenoxy)-5-methylaniline
CID 115555224
2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)aniline
CID 113458730
2-chloro-5-methyl-4-[4-(trifluoromethyl)phenoxy]aniline
CID 115555282
4-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334432
6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine
CID 79176837
2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen
CID 70504097
2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline
CID 63599997
3-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334441
2-(2,3-dihydro-1H-inden-5-yloxy)-6-methylpyridin-3-amine
CID 81133195
(1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 63540494
6-chloro-2,3-dihydro-1H-inden-5-amine
CID 22400278
2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline
CID 115555326

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline?
The IUPAC name of 2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline (CID 115555267) is 2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline.
What is the SMILES notation for 2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline?
The canonical SMILES for 2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline is Cc1cc(N)c(Cl)cc1Oc1ccc2c(c1)CCC2.
What is the InChIKey of 2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline?
The InChIKey is GZUSKWDJIGTFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-10-7-15(18)14(17)9-16(10)19-13-6-5-11-3-2-4-12(11)8-13/h5-9H,2-4,18H2,1H3.
What are the key properties of 2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline?
2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline has a molecular weight of 273.76 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline is sourced from PubChem (CID 115555267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).