2-(2-methylphenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H19NOS — CID 64657189

IUPAC2-(2-methylphenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccccc1S(=O)C1CCc2ccccc2C1N
InChIInChI=1S/C17H19NOS/c1-12-6-2-5-9-15(12)20(19)16-11-10-13-7-3-4-8-14(13)17(16)18/h2-9,16-17H,10-11,18H2,1H3
InChIKeyMQEGPMRLBJZXHK-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.12
Rot. Bonds2

About 2-(2-methylphenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-(2-methylphenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64657189) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64657189
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-(2-methylphenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccccc1S(=O)C1CCc2ccccc2C1N
InChIInChI=1S/C17H19NOS/c1-12-6-2-5-9-15(12)20(19)16-11-10-13-7-3-4-8-14(13)17(16)18/h2-9,16-17H,10-11,18H2,1H3
InChIKeyMQEGPMRLBJZXHK-UHFFFAOYSA-N
XLogP3.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64657542
6-(2-bromophenyl)sulfinyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64653464
N-methyl-2-(2-methylphenyl)sulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64655159
4-ethyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine
CID 64654145
N-methyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
CID 64655368
(1R,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride
CID 172885282
[(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 96762744
2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570832
N-ethyl-2-methylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656023
N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
CID 64656783
2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64659234
(1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 10848491

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(2-methylphenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64657189) is 2-(2-methylphenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(2-methylphenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(2-methylphenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1ccccc1S(=O)C1CCc2ccccc2C1N.
What is the InChIKey of 2-(2-methylphenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is MQEGPMRLBJZXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-12-6-2-5-9-15(12)20(19)16-11-10-13-7-3-4-8-14(13)17(16)18/h2-9,16-17H,10-11,18H2,1H3.
What are the key properties of 2-(2-methylphenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(2-methylphenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 285.41 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64657189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).