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

C16H20ClNOS — CID 80645264

IUPACN-[(3-chlorothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1OCC)c1sccc1Cl
InChIInChI=1S/C16H20ClNOS/c1-4-18-15(16-13(17)8-9-20-16)12-10-11(3)6-7-14(12)19-5-2/h6-10,15,18H,4-5H2,1-3H3
InChIKeyOMUDCCDCNIIOCC-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.81
Rot. Bonds6

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

N-[(3-chlorothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine (PubChem CID 80645264) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine
PubChem CID80645264
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC NameN-[(3-chlorothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1OCC)c1sccc1Cl
InChIInChI=1S/C16H20ClNOS/c1-4-18-15(16-13(17)8-9-20-16)12-10-11(3)6-7-14(12)19-5-2/h6-10,15,18H,4-5H2,1-3H3
InChIKeyOMUDCCDCNIIOCC-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine
CID 80645153
N-[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81127182
N-[(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 103401002
N-[(2-ethoxy-5-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 62302327
N-[(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 80645044
N-[(5-bromo-2-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 103400860
1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine
CID 62301989
N-[(5-bromo-2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 79972309
N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107515360
N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine
CID 107947216
N-[(2,5-dimethylfuran-3-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine
CID 62303504
N-[(3-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]ethanamine
CID 80644379

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine (CID 80645264) is N-[(3-chlorothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine is CCNC(c1cc(C)ccc1OCC)c1sccc1Cl.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine?
The InChIKey is OMUDCCDCNIIOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS/c1-4-18-15(16-13(17)8-9-20-16)12-10-11(3)6-7-14(12)19-5-2/h6-10,15,18H,4-5H2,1-3H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine?
N-[(3-chlorothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine has a molecular weight of 309.86 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 80645264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).