N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine

C15H17Cl2NOS — CID 107968848

IUPACN-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OCC)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H17Cl2NOS/c1-3-18-14(12-9-13(16)20-15(12)17)10-6-5-7-11(8-10)19-4-2/h5-9,14,18H,3-4H2,1-2H3
InChIKeyGTESGNZWOUZLHE-UHFFFAOYSA-N
MW330.28 g/mol
LogP5.15
Rot. Bonds6

About N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine

N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine (PubChem CID 107968848) has the molecular formula C15H17Cl2NOS and a molecular weight of 330.28 g/mol. Its IUPAC name is N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine
PubChem CID107968848
Molecular FormulaC15H17Cl2NOS
Molecular Weight330.28 g/mol
Exact Mass329.04
IUPAC NameN-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OCC)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H17Cl2NOS/c1-3-18-14(12-9-13(16)20-15(12)17)10-6-5-7-11(8-10)19-4-2/h5-9,14,18H,3-4H2,1-2H3
InChIKeyGTESGNZWOUZLHE-UHFFFAOYSA-N
XLogP5.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.28
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 43493094
N-[(3-cyclopropyloxyphenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969279
N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 106692823
N-[(2,5-dichlorothiophen-3-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 107960770
N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 60919282
N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 63988191
N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107946517
N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43493136
N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107985285
N-[(2,5-dichlorothiophen-3-yl)-(3-ethylphenyl)methyl]propan-1-amine
CID 107968804
N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 79989146
N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 105022309

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine (CID 107968848) is N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine is CCNC(c1cccc(OCC)c1)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine?
The InChIKey is GTESGNZWOUZLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NOS/c1-3-18-14(12-9-13(16)20-15(12)17)10-6-5-7-11(8-10)19-4-2/h5-9,14,18H,3-4H2,1-2H3.
What are the key properties of N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine?
N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine has a molecular weight of 330.28 g/mol, XLogP of 5.15, 6 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)-(3-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 107968848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).