2-(5-chloro-2-ethoxyphenyl)-2-(5-methylthiophen-2-yl)ethanamine

C15H18ClNOS — CID 83987039

IUPAC2-(5-chloro-2-ethoxyphenyl)-2-(5-methylthiophen-2-yl)ethanamine
SMILESCCOc1ccc(Cl)cc1C(CN)c1ccc(C)s1
InChIInChI=1S/C15H18ClNOS/c1-3-18-14-6-5-11(16)8-12(14)13(9-17)15-7-4-10(2)19-15/h4-8,13H,3,9,17H2,1-2H3
InChIKeyKHWQMSFSRNHUCJ-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.20
Rot. Bonds5

About 2-(5-chloro-2-ethoxyphenyl)-2-(5-methylthiophen-2-yl)ethanamine

2-(5-chloro-2-ethoxyphenyl)-2-(5-methylthiophen-2-yl)ethanamine (PubChem CID 83987039) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is 2-(5-chloro-2-ethoxyphenyl)-2-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-ethoxyphenyl)-2-(5-methylthiophen-2-yl)ethanamine
PubChem CID83987039
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name2-(5-chloro-2-ethoxyphenyl)-2-(5-methylthiophen-2-yl)ethanamine
SMILESCCOc1ccc(Cl)cc1C(CN)c1ccc(C)s1
InChIInChI=1S/C15H18ClNOS/c1-3-18-14-6-5-11(16)8-12(14)13(9-17)15-7-4-10(2)19-15/h4-8,13H,3,9,17H2,1-2H3
InChIKeyKHWQMSFSRNHUCJ-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bromo-(2-ethoxy-5-methylphenyl)methyl]-5-methylthiophene
CID 63447966
2-[chloro-(5-chloro-2-methoxyphenyl)methyl]-5-methylthiophene
CID 63430566
4-(5-chloro-2-ethoxyphenyl)hexan-1-amine
CID 83933222
1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol
CID 83933326
3-amino-2-(2,4-dichlorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol
CID 65185355
CID 68632303
CID 68632303
2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine
CID 82501011
N-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488147
N-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63506843
4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene
CID 83933310
2-(4-bromobutan-2-yl)-4-chloro-1-ethoxybenzene
CID 83933223
4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol
CID 83933329

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-ethoxyphenyl)-2-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-ethoxyphenyl)-2-(5-methylthiophen-2-yl)ethanamine (CID 83987039) is 2-(5-chloro-2-ethoxyphenyl)-2-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-ethoxyphenyl)-2-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-ethoxyphenyl)-2-(5-methylthiophen-2-yl)ethanamine is CCOc1ccc(Cl)cc1C(CN)c1ccc(C)s1.
What is the InChIKey of 2-(5-chloro-2-ethoxyphenyl)-2-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is KHWQMSFSRNHUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-3-18-14-6-5-11(16)8-12(14)13(9-17)15-7-4-10(2)19-15/h4-8,13H,3,9,17H2,1-2H3.
What are the key properties of 2-(5-chloro-2-ethoxyphenyl)-2-(5-methylthiophen-2-yl)ethanamine?
2-(5-chloro-2-ethoxyphenyl)-2-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 295.84 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-ethoxyphenyl)-2-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 83987039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).