4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline

C19H19NS — CID 43103988

IUPAC4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline
SMILESCSc1ccc(NC(C)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H19NS/c1-14(20-18-9-11-19(21-2)12-10-18)16-8-7-15-5-3-4-6-17(15)13-16/h3-14,20H,1-2H3
InChIKeySVMDZRZNJVMJRP-UHFFFAOYSA-N
MW293.44 g/mol
LogP5.73
Rot. Bonds4

About 4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline

4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline (PubChem CID 43103988) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline.

Molecular Properties

Compound Name4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline
PubChem CID43103988
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline
SMILESCSc1ccc(NC(C)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H19NS/c1-14(20-18-9-11-19(21-2)12-10-18)16-8-7-15-5-3-4-6-17(15)13-16/h3-14,20H,1-2H3
InChIKeySVMDZRZNJVMJRP-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.44
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-methylsulfanylanilino)ethyl]phenol
CID 43192285
N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline
CID 43192256
4-(1-naphthalen-2-ylethylamino)benzamide
CID 43824500
2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 42900557
3-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43098367
N-(1-naphthalen-2-ylethyl)thiophen-3-amine
CID 66351255
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methylsulfanylaniline
CID 43192277
N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine
CID 43680266
4-(difluoromethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 43103644
N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline
CID 43192263
3-ethyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43099352
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-methylsulfanylaniline
CID 112815840

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline?
The IUPAC name of 4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline (CID 43103988) is 4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline.
What is the SMILES notation for 4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline?
The canonical SMILES for 4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline is CSc1ccc(NC(C)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline?
The InChIKey is SVMDZRZNJVMJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c1-14(20-18-9-11-19(21-2)12-10-18)16-8-7-15-5-3-4-6-17(15)13-16/h3-14,20H,1-2H3.
What are the key properties of 4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline?
4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline has a molecular weight of 293.44 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline is sourced from PubChem (CID 43103988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).