2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(3-methoxyphenyl)ethanamine

C18H21NOS — CID 64647682

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)CSc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H21NOS/c1-20-16-7-3-6-15(10-16)18(19)12-21-17-9-8-13-4-2-5-14(13)11-17/h3,6-11,18H,2,4-5,12,19H2,1H3
InChIKeyZAPPKIWJLCWYPL-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.98
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(3-methoxyphenyl)ethanamine

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(3-methoxyphenyl)ethanamine (PubChem CID 64647682) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(3-methoxyphenyl)ethanamine
PubChem CID64647682
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)CSc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H21NOS/c1-20-16-7-3-6-15(10-16)18(19)12-21-17-9-8-13-4-2-5-14(13)11-17/h3,6-11,18H,2,4-5,12,19H2,1H3
InChIKeyZAPPKIWJLCWYPL-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650593
2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine
CID 64621667
(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
CID 106933303
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 38575123
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine
CID 113449492
2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine
CID 43115585
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
2-(4-methoxyphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43198190
1-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64648152
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methoxyphenyl)ethanamine
CID 64628643
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(3-methoxyphenyl)ethanamine (CID 64647682) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(N)CSc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is ZAPPKIWJLCWYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-20-16-7-3-6-15(10-16)18(19)12-21-17-9-8-13-4-2-5-14(13)11-17/h3,6-11,18H,2,4-5,12,19H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(3-methoxyphenyl)ethanamine?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 299.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 64647682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).