N-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine

C17H23NOS — CID 81157380

IUPACN-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1OC)c1sc(C)cc1C
InChIInChI=1S/C17H23NOS/c1-6-18-16(17-12(3)10-13(4)20-17)14-9-11(2)7-8-15(14)19-5/h7-10,16,18H,6H2,1-5H3
InChIKeyHHOVUZVHXGLPOC-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.38
Rot. Bonds5

About N-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine

N-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine (PubChem CID 81157380) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
PubChem CID81157380
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1OC)c1sc(C)cc1C
InChIInChI=1S/C17H23NOS/c1-6-18-16(17-12(3)10-13(4)20-17)14-9-11(2)7-8-15(14)19-5/h7-10,16,18H,6H2,1-5H3
InChIKeyHHOVUZVHXGLPOC-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]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-[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81127182
N-[(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 103401002
N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81157055
N-[(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 43626292
N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 106684341
N-[(2-methoxy-5-methylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105144099
N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43626308
N-[(3,5-dimethylthiophen-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81156669
N-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 65237138
N-[(2-bromo-4-chlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 107987462
N-[(2-methoxy-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106792216
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine
CID 114874388

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine (CID 81157380) is N-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine is CCNC(c1cc(C)ccc1OC)c1sc(C)cc1C.
What is the InChIKey of N-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine?
The InChIKey is HHOVUZVHXGLPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-6-18-16(17-12(3)10-13(4)20-17)14-9-11(2)7-8-15(14)19-5/h7-10,16,18H,6H2,1-5H3.
What are the key properties of N-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine?
N-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine has a molecular weight of 289.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 81157380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).