N-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C19H23NS — CID 79228511

IUPACN-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1CCSc1ccccc1
InChIInChI=1S/C19H23NS/c1-20-19-16(12-11-15-7-5-6-10-18(15)19)13-14-21-17-8-3-2-4-9-17/h2-10,16,19-20H,11-14H2,1H3
InChIKeyLUNRQVBIOZANAF-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.69
Rot. Bonds5

About N-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79228511) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79228511
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC NameN-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1CCSc1ccccc1
InChIInChI=1S/C19H23NS/c1-20-19-16(12-11-15-7-5-6-10-18(15)19)13-14-21-17-8-3-2-4-9-17/h2-10,16,19-20H,11-14H2,1H3
InChIKeyLUNRQVBIOZANAF-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113473884
2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79228619
N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83157787
2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol
CID 79227500
2-[(3,5-dimethylphenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63399923
2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63400274
N,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexan-1-amine
CID 79227744
2-(2-phenylsulfanylethyl)cyclohexan-1-ol
CID 79228950
N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62126210
N-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 112641299
N-methyl-6-(3-methylsulfonylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63191536
N-methyl-6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 65162668

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79228511) is N-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2CCC1CCSc1ccccc1.
What is the InChIKey of N-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LUNRQVBIOZANAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-20-19-16(12-11-15-7-5-6-10-18(15)19)13-14-21-17-8-3-2-4-9-17/h2-10,16,19-20H,11-14H2,1H3.
What are the key properties of N-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 297.47 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79228511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).