2-(2-chlorophenyl)sulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine

C16H16ClNO2S — CID 79369081

IUPAC2-(2-chlorophenyl)sulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N)C(S(=O)c1ccccc1Cl)C2
InChIInChI=1S/C16H16ClNO2S/c1-20-11-7-6-10-8-15(16(18)12(10)9-11)21(19)14-5-3-2-4-13(14)17/h2-7,9,15-16H,8,18H2,1H3
InChIKeyXXHBRGJUSDAPTR-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.08
Rot. Bonds3

About 2-(2-chlorophenyl)sulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine

2-(2-chlorophenyl)sulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 79369081) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID79369081
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name2-(2-chlorophenyl)sulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N)C(S(=O)c1ccccc1Cl)C2
InChIInChI=1S/C16H16ClNO2S/c1-20-11-7-6-10-8-15(16(18)12(10)9-11)21(19)14-5-3-2-4-13(14)17/h2-7,9,15-16H,8,18H2,1H3
InChIKeyXXHBRGJUSDAPTR-UHFFFAOYSA-N
XLogP3.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368756
6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine
CID 107758435
2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374666
1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 79725548
2-N-(2,2-dimethylpropyl)-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79374321
6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine
CID 79369074
2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 82003939
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
(1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine
CID 10562844
6-methoxy-2-N-(2-methoxyethyl)-2-N-propan-2-yl-2,3-dihydro-1H-indene-1,2-diamine
CID 82947826
2-N-cyclopropyl-6-methoxy-2-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 79374817
2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine
CID 79370663

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(2-chlorophenyl)sulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 79369081) is 2-(2-chlorophenyl)sulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)sulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(N)C(S(=O)c1ccccc1Cl)C2.
What is the InChIKey of 2-(2-chlorophenyl)sulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XXHBRGJUSDAPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-20-11-7-6-10-8-15(16(18)12(10)9-11)21(19)14-5-3-2-4-13(14)17/h2-7,9,15-16H,8,18H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
2-(2-chlorophenyl)sulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 321.83 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79369081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).