N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine

C18H19NS — CID 43488213

IUPACN-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ccccc2c1)c1ccc(C)s1
InChIInChI=1S/C18H19NS/c1-3-19-18(17-11-8-13(2)20-17)16-10-9-14-6-4-5-7-15(14)12-16/h4-12,18-19H,3H2,1-2H3
InChIKeyXJEXZGBXLQXLQH-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.91
Rot. Bonds4

About N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine

N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine (PubChem CID 43488213) has the molecular formula C18H19NS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
PubChem CID43488213
Molecular FormulaC18H19NS
Molecular Weight281.42 g/mol
Exact Mass281.12
IUPAC NameN-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ccccc2c1)c1ccc(C)s1
InChIInChI=1S/C18H19NS/c1-3-19-18(17-11-8-13(2)20-17)16-10-9-14-6-4-5-7-15(14)12-16/h4-12,18-19H,3H2,1-2H3
InChIKeyXJEXZGBXLQXLQH-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine 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

N-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115850996
N-[(3-iodophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488129
N-[(3-bromo-5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 65278880
N-[(2-methylphenyl)-naphthalen-2-ylmethyl]ethanamine
CID 63413907
N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43488227
N-[(6-methyl-3-pyridinyl)-naphthalen-2-ylmethyl]ethanamine
CID 63155569
N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 103405840
N-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488095
N-[(3-bromo-4-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 81472156
N-[3,4-dihydro-2H-chromen-6-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61026721
N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 80528896
N-[(3-ethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115851065

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine (CID 43488213) is N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine is CCNC(c1ccc2ccccc2c1)c1ccc(C)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The InChIKey is XJEXZGBXLQXLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS/c1-3-19-18(17-11-8-13(2)20-17)16-10-9-14-6-4-5-7-15(14)12-16/h4-12,18-19H,3H2,1-2H3.
What are the key properties of N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine?
N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine has a molecular weight of 281.42 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine is sourced from PubChem (CID 43488213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).