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

C14H15Cl2NOS — CID 107558402

IUPACN-[[5-[(2,5-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C14H15Cl2NOS/c1-2-17-8-11-4-5-12(19-11)9-18-14-7-10(15)3-6-13(14)16/h3-7,17H,2,8-9H2,1H3
InChIKeyCEBYBXXGUWFQQU-UHFFFAOYSA-N
MW316.25 g/mol
LogP4.74
Rot. Bonds6

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

N-[[5-[(2,5-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine (PubChem CID 107558402) has the molecular formula C14H15Cl2NOS and a molecular weight of 316.25 g/mol. Its IUPAC name is N-[[5-[(2,5-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(2,5-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine
PubChem CID107558402
Molecular FormulaC14H15Cl2NOS
Molecular Weight316.25 g/mol
Exact Mass315.03
IUPAC NameN-[[5-[(2,5-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C14H15Cl2NOS/c1-2-17-8-11-4-5-12(19-11)9-18-14-7-10(15)3-6-13(14)16/h3-7,17H,2,8-9H2,1H3
InChIKeyCEBYBXXGUWFQQU-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-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558332
N-[[3-bromo-4-[(2,5-dichlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 102772848
N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558732
[5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764788
N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107558731
N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558453
N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296038
N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558912
N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558241
N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297790
2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504659
N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine
CID 107557974

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,5-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(2,5-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine (CID 107558402) is N-[[5-[(2,5-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(2,5-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(2,5-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(COc2cc(Cl)ccc2Cl)s1.
What is the InChIKey of N-[[5-[(2,5-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine?
The InChIKey is CEBYBXXGUWFQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NOS/c1-2-17-8-11-4-5-12(19-11)9-18-14-7-10(15)3-6-13(14)16/h3-7,17H,2,8-9H2,1H3.
What are the key properties of N-[[5-[(2,5-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine?
N-[[5-[(2,5-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-[(2,5-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 107558402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).