N-[[5-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine

C14H15Cl2NOS — CID 107558332

IUPACN-[[5-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2cccc(Cl)c2Cl)s1
InChIInChI=1S/C14H15Cl2NOS/c1-2-17-8-10-6-7-11(19-10)9-18-13-5-3-4-12(15)14(13)16/h3-7,17H,2,8-9H2,1H3
InChIKeyCDSFLKAWMGLKOV-UHFFFAOYSA-N
MW316.25 g/mol
LogP4.74
Rot. Bonds6

About N-[[5-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine

N-[[5-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine (PubChem CID 107558332) has the molecular formula C14H15Cl2NOS and a molecular weight of 316.25 g/mol. Its IUPAC name is N-[[5-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine
PubChem CID107558332
Molecular FormulaC14H15Cl2NOS
Molecular Weight316.25 g/mol
Exact Mass315.03
IUPAC NameN-[[5-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2cccc(Cl)c2Cl)s1
InChIInChI=1S/C14H15Cl2NOS/c1-2-17-8-10-6-7-11(19-10)9-18-13-5-3-4-12(15)14(13)16/h3-7,17H,2,8-9H2,1H3
InChIKeyCDSFLKAWMGLKOV-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(2,5-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558402
N-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82190967
N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558912
N-[[4-[(3-chloro-2-fluorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 116690376
5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine
CID 55077390
N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558453
N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558300
N-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine
CID 60882838
N-[[5-(2,3-dichlorophenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381649
N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62454422
N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 114319014
N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558241

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine (CID 107558332) is N-[[5-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(COc2cccc(Cl)c2Cl)s1.
What is the InChIKey of N-[[5-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine?
The InChIKey is CDSFLKAWMGLKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NOS/c1-2-17-8-10-6-7-11(19-10)9-18-13-5-3-4-12(15)14(13)16/h3-7,17H,2,8-9H2,1H3.
What are the key properties of N-[[5-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine?
N-[[5-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine has a molecular weight of 316.25 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 107558332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).