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

C18H21NS — CID 115420497

IUPAC4-methyl-2-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccc(SC2CC(C)c3ccccc3C2N)cc1
InChIInChI=1S/C18H21NS/c1-12-7-9-14(10-8-12)20-17-11-13(2)15-5-3-4-6-16(15)18(17)19/h3-10,13,17-18H,11,19H2,1-2H3
InChIKeyBVCGRRXOEPNELJ-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.66
Rot. Bonds2

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

4-methyl-2-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115420497) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115420497
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name4-methyl-2-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccc(SC2CC(C)c3ccccc3C2N)cc1
InChIInChI=1S/C18H21NS/c1-12-7-9-14(10-8-12)20-17-11-13(2)15-5-3-4-6-16(15)18(17)19/h3-10,13,17-18H,11,19H2,1-2H3
InChIKeyBVCGRRXOEPNELJ-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Fluorophenyl)-4-naphthalen-2-ylsulfanylbutan-1-amine
CID 15181352
[(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 59378893
[(1R)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 59378894
(1R)-6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66755529
8-fluoro-6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66755620
(1R)-8-fluoro-6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66755622
(8-Fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 72281925
[6-(3-Fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 72281926
6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 77227009
8-fluoro-N-methyl-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 77227013
[6-(4-Fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 118598184
[6-(2-Fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 118598367

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-methyl-2-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115420497) is 4-methyl-2-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1ccc(SC2CC(C)c3ccccc3C2N)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is BVCGRRXOEPNELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-12-7-9-14(10-8-12)20-17-11-13(2)15-5-3-4-6-16(15)18(17)19/h3-10,13,17-18H,11,19H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
4-methyl-2-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 283.44 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115420497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).