2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine

C14H16ClNOS — CID 81122345

IUPAC2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Cl)c1cc(OC)cs1
InChIInChI=1S/C14H16ClNOS/c1-16-13(14-8-11(17-2)9-18-14)7-10-5-3-4-6-12(10)15/h3-6,8-9,13,16H,7H2,1-2H3
InChIKeyHUXCUNAVIWQKTG-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.91
Rot. Bonds5

About 2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine

2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine (PubChem CID 81122345) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
PubChem CID81122345
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Cl)c1cc(OC)cs1
InChIInChI=1S/C14H16ClNOS/c1-16-13(14-8-11(17-2)9-18-14)7-10-5-3-4-6-12(10)15/h3-6,8-9,13,16H,7H2,1-2H3
InChIKeyHUXCUNAVIWQKTG-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81121768
2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 105024776
2-(furan-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 105030240
2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81122347
2-(3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 115800875
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 115840276
2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81122254
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 112655672
1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine
CID 63527021
1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 61079470
1-(4-methoxythiophen-2-yl)-N-methylpentan-1-amine
CID 115833083
1-(4-methoxythiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 105013504

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine (CID 81122345) is 2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine is CNC(Cc1ccccc1Cl)c1cc(OC)cs1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine?
The InChIKey is HUXCUNAVIWQKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-16-13(14-8-11(17-2)9-18-14)7-10-5-3-4-6-12(10)15/h3-6,8-9,13,16H,7H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine?
2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine has a molecular weight of 281.81 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 81122345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).