1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine

C15H18ClNOS — CID 80645153

IUPAC1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine
SMILESCCOc1ccc(C)cc1C(NC)c1sccc1Cl
InChIInChI=1S/C15H18ClNOS/c1-4-18-13-6-5-10(2)9-11(13)14(17-3)15-12(16)7-8-19-15/h5-9,14,17H,4H2,1-3H3
InChIKeyOHBQVNFXZZVCHY-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.42
Rot. Bonds5

About 1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine

1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine (PubChem CID 80645153) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine
PubChem CID80645153
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine
SMILESCCOc1ccc(C)cc1C(NC)c1sccc1Cl
InChIInChI=1S/C15H18ClNOS/c1-4-18-13-6-5-10(2)9-11(13)14(17-3)15-12(16)7-8-19-15/h5-9,14,17H,4H2,1-3H3
InChIKeyOHBQVNFXZZVCHY-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine
CID 80645264
1-(3-chlorothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-N-methylmethanamine
CID 80529274
1-(2-ethoxy-5-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 62302995
1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 105035225
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 80528928
1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 62302159
1-(2,3-dimethylphenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine
CID 62301816
[(3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methyl]hydrazine
CID 105292490
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 104657472
N-[(3-bromo-4-ethoxyphenyl)-(3-chlorothiophen-2-yl)methyl]propan-1-amine
CID 104657711
1-(3-chlorothiophen-2-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine
CID 107360106
[(3-chlorothiophen-2-yl)-(2-methoxy-4-methylphenyl)methyl]hydrazine
CID 107362226

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine (CID 80645153) is 1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine is CCOc1ccc(C)cc1C(NC)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine?
The InChIKey is OHBQVNFXZZVCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-4-18-13-6-5-10(2)9-11(13)14(17-3)15-12(16)7-8-19-15/h5-9,14,17H,4H2,1-3H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine?
1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine has a molecular weight of 295.84 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 80645153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).