N-[(4-methylsulfanylphenyl)methyl]naphthalen-1-amine

C18H17NS — CID 834720

IUPACN-[(4-methylsulfanylphenyl)methyl]naphthalen-1-amine
SMILESCSc1ccc(CNc2cccc3ccccc23)cc1
InChIInChI=1S/C18H17NS/c1-20-16-11-9-14(10-12-16)13-19-18-8-4-6-15-5-2-3-7-17(15)18/h2-12,19H,13H2,1H3
InChIKeyPNKRIBLRABUUOP-UHFFFAOYSA-N
MW279.41 g/mol
LogP5.17
Rot. Bonds4

About N-[(4-methylsulfanylphenyl)methyl]naphthalen-1-amine

N-[(4-methylsulfanylphenyl)methyl]naphthalen-1-amine (PubChem CID 834720) has the molecular formula C18H17NS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]naphthalen-1-amine
PubChem CID834720
Molecular FormulaC18H17NS
Molecular Weight279.41 g/mol
Exact Mass279.11
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]naphthalen-1-amine
SMILESCSc1ccc(CNc2cccc3ccccc23)cc1
InChIInChI=1S/C18H17NS/c1-20-16-11-9-14(10-12-16)13-19-18-8-4-6-15-5-2-3-7-17(15)18/h2-12,19H,13H2,1H3
InChIKeyPNKRIBLRABUUOP-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.41
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methyl]naphthalen-1-amine?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]naphthalen-1-amine (CID 834720) is N-[(4-methylsulfanylphenyl)methyl]naphthalen-1-amine.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]naphthalen-1-amine?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]naphthalen-1-amine is CSc1ccc(CNc2cccc3ccccc23)cc1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]naphthalen-1-amine?
The InChIKey is PNKRIBLRABUUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NS/c1-20-16-11-9-14(10-12-16)13-19-18-8-4-6-15-5-2-3-7-17(15)18/h2-12,19H,13H2,1H3.
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]naphthalen-1-amine?
N-[(4-methylsulfanylphenyl)methyl]naphthalen-1-amine has a molecular weight of 279.41 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]naphthalen-1-amine is sourced from PubChem (CID 834720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).