N-[(2,5-dichlorothiophen-3-yl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine

C16H19Cl2NOS — CID 107960737

IUPACN-[(2,5-dichlorothiophen-3-yl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(CCOC)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C16H19Cl2NOS/c1-3-19-15(13-10-14(17)21-16(13)18)12-6-4-11(5-7-12)8-9-20-2/h4-7,10,15,19H,3,8-9H2,1-2H3
InChIKeyRYGSNBVGFXSVDM-UHFFFAOYSA-N
MW344.31 g/mol
LogP4.94
Rot. Bonds7

About N-[(2,5-dichlorothiophen-3-yl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine

N-[(2,5-dichlorothiophen-3-yl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine (PubChem CID 107960737) has the molecular formula C16H19Cl2NOS and a molecular weight of 344.31 g/mol. Its IUPAC name is N-[(2,5-dichlorothiophen-3-yl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorothiophen-3-yl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
PubChem CID107960737
Molecular FormulaC16H19Cl2NOS
Molecular Weight344.31 g/mol
Exact Mass343.06
IUPAC NameN-[(2,5-dichlorothiophen-3-yl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(CCOC)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C16H19Cl2NOS/c1-3-19-15(13-10-14(17)21-16(13)18)12-6-4-11(5-7-12)8-9-20-2/h4-7,10,15,19H,3,8-9H2,1-2H3
InChIKeyRYGSNBVGFXSVDM-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dichlorothiophen-3-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 107960770
N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 43493094
N-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 43489761
N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107968848
N-[(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493036
N-[(2,5-dichloro-4-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107961285
N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine
CID 114819986
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969347
N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489727
N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43493136
N-[(2-bromophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493123
N-[(3-cyclopropyloxyphenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969279

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorothiophen-3-yl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[(2,5-dichlorothiophen-3-yl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine (CID 107960737) is N-[(2,5-dichlorothiophen-3-yl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichlorothiophen-3-yl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(2,5-dichlorothiophen-3-yl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine is CCNC(c1ccc(CCOC)cc1)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[(2,5-dichlorothiophen-3-yl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine?
The InChIKey is RYGSNBVGFXSVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NOS/c1-3-19-15(13-10-14(17)21-16(13)18)12-6-4-11(5-7-12)8-9-20-2/h4-7,10,15,19H,3,8-9H2,1-2H3.
What are the key properties of N-[(2,5-dichlorothiophen-3-yl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine?
N-[(2,5-dichlorothiophen-3-yl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine has a molecular weight of 344.31 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorothiophen-3-yl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 107960737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).