2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methyl-1-phenylethanamine

C18H21NOS — CID 64651990

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methyl-1-phenylethanamine
SMILESCNC(CS(=O)c1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-19-18(15-6-3-2-4-7-15)13-21(20)17-11-10-14-8-5-9-16(14)12-17/h2-4,6-7,10-12,18-19H,5,8-9,13H2,1H3
InChIKeyCTKDPTQQCWCKNU-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.24
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methyl-1-phenylethanamine

2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methyl-1-phenylethanamine (PubChem CID 64651990) 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-ylsulfinyl)-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methyl-1-phenylethanamine
PubChem CID64651990
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methyl-1-phenylethanamine
SMILESCNC(CS(=O)c1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-19-18(15-6-3-2-4-7-15)13-21(20)17-11-10-14-8-5-9-16(14)12-17/h2-4,6-7,10-12,18-19H,5,8-9,13H2,1H3
InChIKeyCTKDPTQQCWCKNU-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine
CID 64657051
1-(2,3-dihydro-1H-inden-5-ylsulfinyl)-3,3-dimethylbutan-2-amine
CID 64652817
1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine
CID 64653227
2-(2,3-dihydro-1H-inden-5-ylsulfinylmethyl)-3,3,3-trifluoropropanoic acid
CID 80996550
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylbutan-2-amine
CID 64651157
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one
CID 116694915
N-(1-phenylpropyl)-2,3-dihydro-1H-inden-5-amine
CID 43111184
4-(2,3-dihydro-1H-inden-5-ylsulfinylmethyl)aniline
CID 61287818
2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)-N-methylethanamine
CID 64651801
2-(benzenesulfinyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64659824
N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine
CID 64658277
N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001353

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methyl-1-phenylethanamine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methyl-1-phenylethanamine (CID 64651990) is 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methyl-1-phenylethanamine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methyl-1-phenylethanamine is CNC(CS(=O)c1ccc2c(c1)CCC2)c1ccccc1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methyl-1-phenylethanamine?
The InChIKey is CTKDPTQQCWCKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-19-18(15-6-3-2-4-7-15)13-21(20)17-11-10-14-8-5-9-16(14)12-17/h2-4,6-7,10-12,18-19H,5,8-9,13H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methyl-1-phenylethanamine?
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methyl-1-phenylethanamine has a molecular weight of 299.44 g/mol, XLogP of 3.24, 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-ylsulfinyl)-N-methyl-1-phenylethanamine is sourced from PubChem (CID 64651990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).