6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine

C16H25NO3S — CID 79369092

IUPAC6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2cc(OC)ccc2CC1S(=O)CCOC
InChIInChI=1S/C16H25NO3S/c1-4-7-17-16-14-11-13(20-3)6-5-12(14)10-15(16)21(18)9-8-19-2/h5-6,11,15-17H,4,7-10H2,1-3H3
InChIKeyAQEAAWJTTNRFLK-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.06
Rot. Bonds8

About 6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine

6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 79369092) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID79369092
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2cc(OC)ccc2CC1S(=O)CCOC
InChIInChI=1S/C16H25NO3S/c1-4-7-17-16-14-11-13(20-3)6-5-12(14)10-15(16)21(18)9-8-19-2/h5-6,11,15-17H,4,7-10H2,1-3H3
InChIKeyAQEAAWJTTNRFLK-UHFFFAOYSA-N
XLogP2.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79368758
6-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79370659
2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79371140
3-(2-methoxyethylsulfinyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 64652880
6-methoxy-2-(2-methylbutan-2-yloxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79371150
2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368756
6-methoxy-2-(3-methylpyrrolidin-1-yl)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79370654
6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 79369397
N-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine
CID 79375167
6-methoxy-2-(3-methoxypropylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658416
1-N-ethyl-6-methoxy-2-N-methyl-2-N-propyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79375098
N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368198

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 79369092) is 6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCNC1c2cc(OC)ccc2CC1S(=O)CCOC.
What is the InChIKey of 6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is AQEAAWJTTNRFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-4-7-17-16-14-11-13(20-3)6-5-12(14)10-15(16)21(18)9-8-19-2/h5-6,11,15-17H,4,7-10H2,1-3H3.
What are the key properties of 6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine?
6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 311.45 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79369092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).