2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine

C19H23NS — CID 64648663

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)Sc1ccc2c(c1)CCC2
InChIInChI=1S/C19H23NS/c1-14(19(20-2)16-7-4-3-5-8-16)21-18-12-11-15-9-6-10-17(15)13-18/h3-5,7-8,11-14,19-20H,6,9-10H2,1-2H3
InChIKeyLURSZMQCTOJOIM-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.62
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine (PubChem CID 64648663) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine
PubChem CID64648663
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)Sc1ccc2c(c1)CCC2
InChIInChI=1S/C19H23NS/c1-14(19(20-2)16-7-4-3-5-8-16)21-18-12-11-15-9-6-10-17(15)13-18/h3-5,7-8,11-14,19-20H,6,9-10H2,1-2H3
InChIKeyLURSZMQCTOJOIM-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
CID 64705422
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine
CID 64633701
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine
CID 64647689
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal
CID 165440470
(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide
CID 8996376
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoate
CID 60730756
1-(methylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 116859383
3-[1-(cyclodecapentaenylsulfanyl)ethyl]-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene
CID 154990828
N-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine
CID 64614845
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 62881063
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol
CID 64807080
(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
CID 106933303

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine (CID 64648663) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine is CNC(c1ccccc1)C(C)Sc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine?
The InChIKey is LURSZMQCTOJOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-14(19(20-2)16-7-4-3-5-8-16)21-18-12-11-15-9-6-10-17(15)13-18/h3-5,7-8,11-14,19-20H,6,9-10H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 64648663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).