6-methoxy-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine

C15H21NOS — CID 103901315

IUPAC6-methoxy-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
SMILESC=CCSCCNC1CCc2ccc(OC)cc21
InChIInChI=1S/C15H21NOS/c1-3-9-18-10-8-16-15-7-5-12-4-6-13(17-2)11-14(12)15/h3-4,6,11,15-16H,1,5,7-10H2,2H3
InChIKeyQMVSVQIYMMIBDU-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.19
Rot. Bonds7

About 6-methoxy-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine

6-methoxy-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 103901315) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 6-methoxy-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID103901315
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name6-methoxy-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
SMILESC=CCSCCNC1CCc2ccc(OC)cc21
InChIInChI=1S/C15H21NOS/c1-3-9-18-10-8-16-15-7-5-12-4-6-13(17-2)11-14(12)15/h3-4,6,11,15-16H,1,5,7-10H2,2H3
InChIKeyQMVSVQIYMMIBDU-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103901402
6-methoxy-N-(2-prop-2-enylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 103901426
6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115890286
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367214
6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 113429607
N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 115727850
6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 82942309
2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide
CID 79366308
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide
CID 79366946
ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 144639263
6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 79367150

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine (CID 103901315) is 6-methoxy-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine is C=CCSCCNC1CCc2ccc(OC)cc21.
What is the InChIKey of 6-methoxy-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is QMVSVQIYMMIBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-3-9-18-10-8-16-15-7-5-12-4-6-13(17-2)11-14(12)15/h3-4,6,11,15-16H,1,5,7-10H2,2H3.
What are the key properties of 6-methoxy-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103901315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).