4-methyl-2-[(2-methylphenyl)methylsulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C19H23NS — CID 115420555

IUPAC4-methyl-2-[(2-methylphenyl)methylsulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccccc1CSC1CC(C)c2ccccc2C1N
InChIInChI=1S/C19H23NS/c1-13-7-3-4-8-15(13)12-21-18-11-14(2)16-9-5-6-10-17(16)19(18)20/h3-10,14,18-19H,11-12,20H2,1-2H3
InChIKeyCJUNRFIHDKSPKZ-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.80
Rot. Bonds3

About 4-methyl-2-[(2-methylphenyl)methylsulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine

4-methyl-2-[(2-methylphenyl)methylsulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115420555) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylphenyl)methylsulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-methyl-2-[(2-methylphenyl)methylsulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115420555
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC Name4-methyl-2-[(2-methylphenyl)methylsulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccccc1CSC1CC(C)c2ccccc2C1N
InChIInChI=1S/C19H23NS/c1-13-7-3-4-8-15(13)12-21-18-11-14(2)16-9-5-6-10-17(16)19(18)20/h3-10,14,18-19H,11-12,20H2,1-2H3
InChIKeyCJUNRFIHDKSPKZ-UHFFFAOYSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 57467371
1-Naphthylamine, 1,2,3,4-tetrahydro-4-phenyl-, hydrochloride, (E)-
CID 104176
1-Naphthylamine, 1,2,3,4-tetrahydro-4-phenyl-, hydrochloride, (Z)-
CID 104178
1-Amino-4-phenyltetralin
CID 12212380
(1S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 53939094
(1R,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104177
7-[4-Amino-4-[methylidene(propyl)-lambda4-sulfanyl]pentyl]-1-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 88217878
2-(2,4-Difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64612659
2-(2,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64613079
2-(3,4-Difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64613268
2-(3,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64613682
2-(2-Fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64620468

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylphenyl)methylsulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-methyl-2-[(2-methylphenyl)methylsulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115420555) is 4-methyl-2-[(2-methylphenyl)methylsulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-methyl-2-[(2-methylphenyl)methylsulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-methyl-2-[(2-methylphenyl)methylsulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1ccccc1CSC1CC(C)c2ccccc2C1N.
What is the InChIKey of 4-methyl-2-[(2-methylphenyl)methylsulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is CJUNRFIHDKSPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-13-7-3-4-8-15(13)12-21-18-11-14(2)16-9-5-6-10-17(16)19(18)20/h3-10,14,18-19H,11-12,20H2,1-2H3.
What are the key properties of 4-methyl-2-[(2-methylphenyl)methylsulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
4-methyl-2-[(2-methylphenyl)methylsulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 297.47 g/mol, XLogP of 4.80, 3 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)methylsulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115420555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).