1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine

C15H17Cl2NOS — CID 107968056

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1OC)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H17Cl2NOS/c1-9-4-5-13(19-3)10(6-9)7-12(18-2)11-8-14(16)20-15(11)17/h4-6,8,12,18H,7H2,1-3H3
InChIKeyNOQUUSVBDWKIJP-UHFFFAOYSA-N
MW330.28 g/mol
LogP4.88
Rot. Bonds5

About 1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine

1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine (PubChem CID 107968056) has the molecular formula C15H17Cl2NOS and a molecular weight of 330.28 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
PubChem CID107968056
Molecular FormulaC15H17Cl2NOS
Molecular Weight330.28 g/mol
Exact Mass329.04
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1OC)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H17Cl2NOS/c1-9-4-5-13(19-3)10(6-9)7-12(18-2)11-8-14(16)20-15(11)17/h4-6,8,12,18H,7H2,1-3H3
InChIKeyNOQUUSVBDWKIJP-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826208
1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826207
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 43486785
2-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 106867237
1-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826763
2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
CID 105065334
1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 81267976
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63509708
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 107963061
2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115826658
2-(2-methoxy-5-methylphenyl)-N-methyl-1-pyrazin-2-ylethanamine
CID 62160695
2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792155

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine (CID 107968056) is 1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine is CNC(Cc1cc(C)ccc1OC)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The InChIKey is NOQUUSVBDWKIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NOS/c1-9-4-5-13(19-3)10(6-9)7-12(18-2)11-8-14(16)20-15(11)17/h4-6,8,12,18H,7H2,1-3H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine has a molecular weight of 330.28 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 107968056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).