2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine

C15H18ClNOS — CID 115841626

IUPAC2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccc(C(Cc2ccc(Cl)s2)NC)cc1
InChIInChI=1S/C15H18ClNOS/c1-3-18-12-6-4-11(5-7-12)14(17-2)10-13-8-9-15(16)19-13/h4-9,14,17H,3,10H2,1-2H3
InChIKeyDQYIUWTYFXKXAH-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.30
Rot. Bonds6

About 2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine

2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine (PubChem CID 115841626) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
PubChem CID115841626
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccc(C(Cc2ccc(Cl)s2)NC)cc1
InChIInChI=1S/C15H18ClNOS/c1-3-18-12-6-4-11(5-7-12)14(17-2)10-13-8-9-15(16)19-13/h4-9,14,17H,3,10H2,1-2H3
InChIKeyDQYIUWTYFXKXAH-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 115841428
2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115841423
2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 107311946
2-(5-chlorothiophen-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 55095022
1-(5-chloro-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 114886081
2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789911
1-(3-chloro-4-iodophenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 103214976
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 115842628
2-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 62553312
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 63412241
1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine (CID 115841626) is 2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine is CCOc1ccc(C(Cc2ccc(Cl)s2)NC)cc1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine?
The InChIKey is DQYIUWTYFXKXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-3-18-12-6-4-11(5-7-12)14(17-2)10-13-8-9-15(16)19-13/h4-9,14,17H,3,10H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine?
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine has a molecular weight of 295.84 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 115841626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).