N-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine

C12H14ClNOS2 — CID 81128008

IUPACN-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)s1)c1sccc1OC
InChIInChI=1S/C12H14ClNOS2/c1-3-14-11(9-4-5-10(13)17-9)12-8(15-2)6-7-16-12/h4-7,11,14H,3H2,1-2H3
InChIKeyYXNFTXVYDJTPQF-UHFFFAOYSA-N
MW287.84 g/mol
LogP4.17
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine

N-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine (PubChem CID 81128008) has the molecular formula C12H14ClNOS2 and a molecular weight of 287.84 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine
PubChem CID81128008
Molecular FormulaC12H14ClNOS2
Molecular Weight287.84 g/mol
Exact Mass287.02
IUPAC NameN-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)s1)c1sccc1OC
InChIInChI=1S/C12H14ClNOS2/c1-3-14-11(9-4-5-10(13)17-9)12-8(15-2)6-7-16-12/h4-7,11,14H,3H2,1-2H3
InChIKeyYXNFTXVYDJTPQF-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.84
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81283886
N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 105007145
1-(5-ethylthiophen-2-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127074
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
N-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115851457
1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81126556
N-[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81127182
N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 103394718
N-[(3-chlorothiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 80528946
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 105042817
N-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105018408
N-[(3-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115792372

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine (CID 81128008) is N-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(Cl)s1)c1sccc1OC.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine?
The InChIKey is YXNFTXVYDJTPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNOS2/c1-3-14-11(9-4-5-10(13)17-9)12-8(15-2)6-7-16-12/h4-7,11,14H,3H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine?
N-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine has a molecular weight of 287.84 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 81128008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).