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

C18H21NS — CID 115420529

IUPAC4-methyl-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccccc1SC1CC(C)c2ccccc2C1N
InChIInChI=1S/C18H21NS/c1-12-7-3-6-10-16(12)20-17-11-13(2)14-8-4-5-9-15(14)18(17)19/h3-10,13,17-18H,11,19H2,1-2H3
InChIKeyPADQUWCEFZATSC-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.66
Rot. Bonds2

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

4-methyl-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115420529) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-methyl-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-methyl-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115420529
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name4-methyl-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccccc1SC1CC(C)c2ccccc2C1N
InChIInChI=1S/C18H21NS/c1-12-7-3-6-10-16(12)20-17-11-13(2)14-8-4-5-9-15(14)18(17)19/h3-10,13,17-18H,11,19H2,1-2H3
InChIKeyPADQUWCEFZATSC-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

(1R)-2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanamine
CID 44593075
(1S)-2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanamine
CID 44593076
2-[(2,6-Dimethylphenyl)thio]-1-phenylethanamine
CID 56662743
1-(2-Fluoro-6-naphthalen-2-ylsulfanylphenyl)ethanamine
CID 43519202
1-(5-Fluoro-2-naphthalen-2-ylsulfanylphenyl)ethanamine
CID 43519204
(1R)-1-[5-fluoro-2-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 55184817
(1R)-1-[2-fluoro-6-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 55184818
1-[5-Fluoro-2-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 62770707
1-[2-Fluoro-6-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 62770883
(1R)-1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)ethanamine
CID 63533665
(1R)-1-(2-fluoro-6-naphthalen-2-ylsulfanylphenyl)ethanamine
CID 63533806
2-(2,4-Difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64612659

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-methyl-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115420529) is 4-methyl-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-methyl-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-methyl-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1ccccc1SC1CC(C)c2ccccc2C1N.
What is the InChIKey of 4-methyl-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is PADQUWCEFZATSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-12-7-3-6-10-16(12)20-17-11-13(2)14-8-4-5-9-15(14)18(17)19/h3-10,13,17-18H,11,19H2,1-2H3.
What are the key properties of 4-methyl-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
4-methyl-2-(2-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-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115420529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).