N-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine

C14H15Cl2NOS — CID 115851457

IUPACN-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1Cl)c1sccc1OC
InChIInChI=1S/C14H15Cl2NOS/c1-3-17-13(14-11(18-2)7-8-19-14)9-5-4-6-10(15)12(9)16/h4-8,13,17H,3H2,1-2H3
InChIKeyPPXLPUSTPGPBCH-UHFFFAOYSA-N
MW316.25 g/mol
LogP4.76
Rot. Bonds5

About N-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine

N-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine (PubChem CID 115851457) has the molecular formula C14H15Cl2NOS and a molecular weight of 316.25 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
PubChem CID115851457
Molecular FormulaC14H15Cl2NOS
Molecular Weight316.25 g/mol
Exact Mass315.03
IUPAC NameN-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1Cl)c1sccc1OC
InChIInChI=1S/C14H15Cl2NOS/c1-3-17-13(14-11(18-2)7-8-19-14)9-5-4-6-10(15)12(9)16/h4-8,13,17H,3H2,1-2H3
InChIKeyPPXLPUSTPGPBCH-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105018408
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
N-[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81127182
N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 105007145
N-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81128008
N-[(4-fluoro-2-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115852574
N-[(3-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115792372
N-[(3-chloro-2-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 107102020
N-[isoquinolin-4-yl-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115856366
N-[(2,3-dichlorophenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951699
N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 115792936
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 105042817

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine (CID 115851457) is N-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine is CCNC(c1cccc(Cl)c1Cl)c1sccc1OC.
What is the InChIKey of N-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine?
The InChIKey is PPXLPUSTPGPBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NOS/c1-3-17-13(14-11(18-2)7-8-19-14)9-5-4-6-10(15)12(9)16/h4-8,13,17H,3H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine?
N-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine has a molecular weight of 316.25 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 115851457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).