N-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine

C17H23NOS — CID 105032743

IUPACN-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(OC)cc1C)c1sccc1C
InChIInChI=1S/C17H23NOS/c1-6-18-16(17-11(2)7-8-20-17)14-9-13(4)15(19-5)10-12(14)3/h7-10,16,18H,6H2,1-5H3
InChIKeyRFBIWGFVWCPVCY-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.38
Rot. Bonds5

About N-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine

N-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 105032743) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID105032743
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(OC)cc1C)c1sccc1C
InChIInChI=1S/C17H23NOS/c1-6-18-16(17-11(2)7-8-20-17)14-9-13(4)15(19-5)10-12(14)3/h7-10,16,18H,6H2,1-5H3
InChIKeyRFBIWGFVWCPVCY-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

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Related Compounds

N-[(3-chlorothiophen-2-yl)-(4-methoxy-2,5-dimethylphenyl)methyl]propan-1-amine
CID 105032918
N-[(4-fluoro-2-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115852574
[(3-ethylthiophen-2-yl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 105332940
N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 43489161
N-[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81127182
N-[(2-methoxy-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 106792489
N-[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105179018
N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55007060
N-[(2,3-difluoro-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 107515906
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-2,5-dimethylphenyl)methyl]ethanamine
CID 105032873
N-[(2-chloro-5-fluorophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 105396828
N-[(2-bromo-4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 114024435

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine (CID 105032743) is N-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine is CCNC(c1cc(C)c(OC)cc1C)c1sccc1C.
What is the InChIKey of N-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is RFBIWGFVWCPVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-6-18-16(17-11(2)7-8-20-17)14-9-13(4)15(19-5)10-12(14)3/h7-10,16,18H,6H2,1-5H3.
What are the key properties of N-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine?
N-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)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-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 105032743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).