N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

C18H21NS — CID 172842465

IUPACN-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2cc(Sc3cccc(C)c3)ccc21
InChIInChI=1S/C18H21NS/c1-13-5-3-7-15(11-13)20-16-9-10-17-14(12-16)6-4-8-18(17)19-2/h3,5,7,9-12,18-19H,4,6,8H2,1-2H3
InChIKeyWZAZXMHOASGDTH-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.74
Rot. Bonds3

About N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 172842465) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID172842465
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC NameN-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2cc(Sc3cccc(C)c3)ccc21
InChIInChI=1S/C18H21NS/c1-13-5-3-7-15(11-13)20-16-9-10-17-14(12-16)6-4-8-18(17)19-2/h3,5,7,9-12,18-19H,4,6,8H2,1-2H3
InChIKeyWZAZXMHOASGDTH-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene
CID 144987176
6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83912581
(1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 59021705
5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 131174975
N-methyl-3-(3-methylphenyl)sulfanylaniline
CID 117033152
(1R)-N-methyl-6-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 172789677
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)methylazanium
CID 147928547
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine
CID 62735808
ethane;N-methyl-6-[1-(N-methylanilino)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 157472089
N,N-dimethyl-2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 143248318

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 172842465) is N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1CCCc2cc(Sc3cccc(C)c3)ccc21.
What is the InChIKey of N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WZAZXMHOASGDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-13-5-3-7-15(11-13)20-16-9-10-17-14(12-16)6-4-8-18(17)19-2/h3,5,7,9-12,18-19H,4,6,8H2,1-2H3.
What are the key properties of N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 283.44 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 172842465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).