1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine

C15H18ClNOS — CID 107622673

IUPAC1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2ccc(Cl)c(OC)c2)s1
InChIInChI=1S/C15H18ClNOS/c1-4-17-10(2)14-7-8-15(19-14)11-5-6-12(16)13(9-11)18-3/h5-10,17H,4H2,1-3H3
InChIKeySESHCZGNSKSELO-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.75
Rot. Bonds5

About 1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine

1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine (PubChem CID 107622673) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is 1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine
PubChem CID107622673
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2ccc(Cl)c(OC)c2)s1
InChIInChI=1S/C15H18ClNOS/c1-4-17-10(2)14-7-8-15(19-14)11-5-6-12(16)13(9-11)18-3/h5-10,17H,4H2,1-3H3
InChIKeySESHCZGNSKSELO-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine
CID 43288121
1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 65022560
1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine
CID 43288278
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
N-[1-[4-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699320
N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine
CID 79049374
1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 63400821
N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 63400734
N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43288281
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine
CID 43287935
N-[1-[3-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699561
N-[1-(5-bromothiophen-2-yl)ethyl]-4-chloro-3-methoxyaniline
CID 107621272

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine (CID 107622673) is 1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine is CCNC(C)c1ccc(-c2ccc(Cl)c(OC)c2)s1.
What is the InChIKey of 1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine?
The InChIKey is SESHCZGNSKSELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-4-17-10(2)14-7-8-15(19-14)11-5-6-12(16)13(9-11)18-3/h5-10,17H,4H2,1-3H3.
What are the key properties of 1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine?
1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine has a molecular weight of 295.84 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine is sourced from PubChem (CID 107622673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).