1-(5-chloro-4-methylthiophen-2-yl)-2-(4-methoxyphenyl)ethanamine

C14H16ClNOS — CID 102763454

IUPAC1-(5-chloro-4-methylthiophen-2-yl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cc(C)c(Cl)s2)cc1
InChIInChI=1S/C14H16ClNOS/c1-9-7-13(18-14(9)15)12(16)8-10-3-5-11(17-2)6-4-10/h3-7,12H,8,16H2,1-2H3
InChIKeyIGSNGEYGVNDNOV-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.96
Rot. Bonds4

About 1-(5-chloro-4-methylthiophen-2-yl)-2-(4-methoxyphenyl)ethanamine

1-(5-chloro-4-methylthiophen-2-yl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 102763454) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)-2-(4-methoxyphenyl)ethanamine
PubChem CID102763454
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cc(C)c(Cl)s2)cc1
InChIInChI=1S/C14H16ClNOS/c1-9-7-13(18-14(9)15)12(16)8-10-3-5-11(17-2)6-4-10/h3-7,12H,8,16H2,1-2H3
InChIKeyIGSNGEYGVNDNOV-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-(5-chloro-4-methylthiophen-2-yl)ethanamine
CID 102763560
1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 115483724
1-(4,5-dimethylthiophen-2-yl)-2-(4-methoxyphenyl)ethanol
CID 65238266
1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 106877505
1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol
CID 102764589
2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 114821216
1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 79724876
1-(4,5-dimethylthiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829855
1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079796
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol
CID 61081417
(2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine
CID 89360253
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 65239260

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2-(4-methoxyphenyl)ethanamine (CID 102763454) is 1-(5-chloro-4-methylthiophen-2-yl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)-2-(4-methoxyphenyl)ethanamine is COc1ccc(CC(N)c2cc(C)c(Cl)s2)cc1.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is IGSNGEYGVNDNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-9-7-13(18-14(9)15)12(16)8-10-3-5-11(17-2)6-4-10/h3-7,12H,8,16H2,1-2H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)-2-(4-methoxyphenyl)ethanamine?
1-(5-chloro-4-methylthiophen-2-yl)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 281.81 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylthiophen-2-yl)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 102763454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).