1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine

C15H19NS — CID 113239115

IUPAC1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine
SMILESCSCC(C)NCc1ccc2ccccc2c1
InChIInChI=1S/C15H19NS/c1-12(11-17-2)16-10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,12,16H,10-11H2,1-2H3
InChIKeyWVAISDSYUXEGHU-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.68
Rot. Bonds5

About 1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine

1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine (PubChem CID 113239115) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine
PubChem CID113239115
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine
SMILESCSCC(C)NCc1ccc2ccccc2c1
InChIInChI=1S/C15H19NS/c1-12(11-17-2)16-10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,12,16H,10-11H2,1-2H3
InChIKeyWVAISDSYUXEGHU-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
CID 43085087
3-methyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 54950144
N-[(3-chlorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639887
3-ethyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 63843096
1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 115654305
1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
CID 65047641
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147
(1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol
CID 101460872
N-[(3,5-dimethylphenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639704
N-(naphthalen-2-ylmethyl)hexan-3-amine
CID 63477604
1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
CID 60584572
(2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid
CID 102164167

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine (CID 113239115) is 1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine is CSCC(C)NCc1ccc2ccccc2c1.
What is the InChIKey of 1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine?
The InChIKey is WVAISDSYUXEGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-12(11-17-2)16-10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,12,16H,10-11H2,1-2H3.
What are the key properties of 1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine?
1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine has a molecular weight of 245.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 113239115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).