N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine

C18H17NS — CID 826634

IUPACN-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine
SMILESCNCc1ccccc1Sc1cccc2ccccc12
InChIInChI=1S/C18H17NS/c1-19-13-15-8-3-5-11-17(15)20-18-12-6-9-14-7-2-4-10-16(14)18/h2-12,19H,13H2,1H3
InChIKeyOHDXDNUPVVYWOV-UHFFFAOYSA-N
MW279.41 g/mol
LogP4.71
Rot. Bonds4

About N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine

N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine (PubChem CID 826634) has the molecular formula C18H17NS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine
PubChem CID826634
Molecular FormulaC18H17NS
Molecular Weight279.41 g/mol
Exact Mass279.11
IUPAC NameN-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine
SMILESCNCc1ccccc1Sc1cccc2ccccc12
InChIInChI=1S/C18H17NS/c1-19-13-15-8-3-5-11-17(15)20-18-12-6-9-14-7-2-4-10-16(14)18/h2-12,19H,13H2,1H3
InChIKeyOHDXDNUPVVYWOV-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine?
The IUPAC name of N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine (CID 826634) is N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine is CNCc1ccccc1Sc1cccc2ccccc12.
What is the InChIKey of N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine?
The InChIKey is OHDXDNUPVVYWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NS/c1-19-13-15-8-3-5-11-17(15)20-18-12-6-9-14-7-2-4-10-16(14)18/h2-12,19H,13H2,1H3.
What are the key properties of N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine?
N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine has a molecular weight of 279.41 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine is sourced from PubChem (CID 826634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).