N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-naphthalen-1-ylethanamine

C18H19NOS — CID 107784351

IUPACN-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-naphthalen-1-ylethanamine
SMILESCNC(CSc1ccoc1C)c1cccc2ccccc12
InChIInChI=1S/C18H19NOS/c1-13-18(10-11-20-13)21-12-17(19-2)16-9-5-7-14-6-3-4-8-15(14)16/h3-11,17,19H,12H2,1-2H3
InChIKeyWKHTZELVTFUHLL-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.79
Rot. Bonds5

About N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-naphthalen-1-ylethanamine

N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-naphthalen-1-ylethanamine (PubChem CID 107784351) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-naphthalen-1-ylethanamine
PubChem CID107784351
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC NameN-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-naphthalen-1-ylethanamine
SMILESCNC(CSc1ccoc1C)c1cccc2ccccc12
InChIInChI=1S/C18H19NOS/c1-13-18(10-11-20-13)21-12-17(19-2)16-9-5-7-14-6-3-4-8-15(14)16/h3-11,17,19H,12H2,1-2H3
InChIKeyWKHTZELVTFUHLL-UHFFFAOYSA-N
XLogP4.79
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-naphthalen-1-ylethanamine 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

1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784125
N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine
CID 107784202
2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine
CID 64614644
1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784147
[(2-methylfuran-3-yl)-naphthalen-1-ylmethyl]hydrazine
CID 105269167
N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 14340342
2-methyl-3-[2-(methylamino)-2-naphthalen-1-ylethyl]sulfanylpropan-1-ol
CID 66102804
N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine
CID 62716736
(1-naphthalen-1-yl-2-phenylsulfanylethyl)hydrazine
CID 105228218
N-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine
CID 107784337
N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 55103784
3-ethyl-N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 82923409

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-naphthalen-1-ylethanamine?
The IUPAC name of N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-naphthalen-1-ylethanamine (CID 107784351) is N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-naphthalen-1-ylethanamine.
What is the SMILES notation for N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-naphthalen-1-ylethanamine?
The canonical SMILES for N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-naphthalen-1-ylethanamine is CNC(CSc1ccoc1C)c1cccc2ccccc12.
What is the InChIKey of N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-naphthalen-1-ylethanamine?
The InChIKey is WKHTZELVTFUHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-13-18(10-11-20-13)21-12-17(19-2)16-9-5-7-14-6-3-4-8-15(14)16/h3-11,17,19H,12H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-naphthalen-1-ylethanamine?
N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-naphthalen-1-ylethanamine has a molecular weight of 297.42 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 107784351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).