1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine

C19H19NS — CID 60584572

IUPAC1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
SMILESCSc1ccc(CNCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H19NS/c1-21-19-10-7-15(8-11-19)13-20-14-16-6-9-17-4-2-3-5-18(17)12-16/h2-12,20H,13-14H2,1H3
InChIKeyCCZQWXCUMFKOIY-UHFFFAOYSA-N
MW293.44 g/mol
LogP4.85
Rot. Bonds5

About 1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine

1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine (PubChem CID 60584572) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
PubChem CID60584572
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
SMILESCSc1ccc(CNCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H19NS/c1-21-19-10-7-15(8-11-19)13-20-14-16-6-9-17-4-2-3-5-18(17)12-16/h2-12,20H,13-14H2,1H3
InChIKeyCCZQWXCUMFKOIY-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol
CID 103648640
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 738585
N-[(2-ethylphenyl)methyl]-1-naphthalen-2-ylmethanamine
CID 64680706
N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 61003267
(naphthalen-2-ylmethylamino)methanethiol
CID 115228012
N'-(naphthalen-2-ylmethyl)methanediamine
CID 115225812
N-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 61401469
methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate
CID 11573081
N-benzyl-2-(4-methylsulfanylphenyl)ethanamine
CID 102197359
N-(hydrazinylmethyl)-1-naphthalen-2-ylmethanamine
CID 115260879
N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 11741534
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine (CID 60584572) is 1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine is CSc1ccc(CNCc2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine?
The InChIKey is CCZQWXCUMFKOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c1-21-19-10-7-15(8-11-19)13-20-14-16-6-9-17-4-2-3-5-18(17)12-16/h2-12,20H,13-14H2,1H3.
What are the key properties of 1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine?
1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine has a molecular weight of 293.44 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine is sourced from PubChem (CID 60584572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).