N-methyl-2-(2-methylphenyl)sulfinyl-2,3-dihydro-1H-inden-1-amine

C17H19NOS — CID 64655159

IUPACN-methyl-2-(2-methylphenyl)sulfinyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1S(=O)c1ccccc1C
InChIInChI=1S/C17H19NOS/c1-12-7-3-6-10-15(12)20(19)16-11-13-8-4-5-9-14(13)17(16)18-2/h3-10,16-18H,11H2,1-2H3
InChIKeyMCWNVBHRPCUKSC-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.99
Rot. Bonds3

About N-methyl-2-(2-methylphenyl)sulfinyl-2,3-dihydro-1H-inden-1-amine

N-methyl-2-(2-methylphenyl)sulfinyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 64655159) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-methyl-2-(2-methylphenyl)sulfinyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylphenyl)sulfinyl-2,3-dihydro-1H-inden-1-amine
PubChem CID64655159
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-methyl-2-(2-methylphenyl)sulfinyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1S(=O)c1ccccc1C
InChIInChI=1S/C17H19NOS/c1-12-7-3-6-10-15(12)20(19)16-11-13-8-4-5-9-14(13)17(16)18-2/h3-10,16-18H,11H2,1-2H3
InChIKeyMCWNVBHRPCUKSC-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-methylsulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64656013
2-(3-chlorophenyl)sulfinyl-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64657981
N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
CID 64655368
2-(2-methylphenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64657189
2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64659234
6-(benzenesulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64658647
N,2-dimethyl-2,3-dihydro-1H-inden-1-amine;ethane
CID 142067268
2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656680
3-(2-fluorophenyl)sulfinyl-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64657748
6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64656074
(1R,2R)-1-N,2-N,2-N-trimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 14327151
N-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64653008

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylphenyl)sulfinyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-2-(2-methylphenyl)sulfinyl-2,3-dihydro-1H-inden-1-amine (CID 64655159) is N-methyl-2-(2-methylphenyl)sulfinyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-2-(2-methylphenyl)sulfinyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-2-(2-methylphenyl)sulfinyl-2,3-dihydro-1H-inden-1-amine is CNC1c2ccccc2CC1S(=O)c1ccccc1C.
What is the InChIKey of N-methyl-2-(2-methylphenyl)sulfinyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MCWNVBHRPCUKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-12-7-3-6-10-15(12)20(19)16-11-13-8-4-5-9-14(13)17(16)18-2/h3-10,16-18H,11H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylphenyl)sulfinyl-2,3-dihydro-1H-inden-1-amine?
N-methyl-2-(2-methylphenyl)sulfinyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 285.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylphenyl)sulfinyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 64655159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).