2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine

C9H13Cl2NOS — CID 65023787

IUPAC2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
SMILESClCCOCCNCc1ccc(Cl)s1
InChIInChI=1S/C9H13Cl2NOS/c10-3-5-13-6-4-12-7-8-1-2-9(11)14-8/h1-2,12H,3-7H2
InChIKeyUCTURNLSLZLRMG-UHFFFAOYSA-N
MW254.18 g/mol
LogP2.75
Rot. Bonds7

About 2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine

2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine (PubChem CID 65023787) has the molecular formula C9H13Cl2NOS and a molecular weight of 254.18 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
PubChem CID65023787
Molecular FormulaC9H13Cl2NOS
Molecular Weight254.18 g/mol
Exact Mass253.01
IUPAC Name2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
SMILESClCCOCCNCc1ccc(Cl)s1
InChIInChI=1S/C9H13Cl2NOS/c10-3-5-13-6-4-12-7-8-1-2-9(11)14-8/h1-2,12H,3-7H2
InChIKeyUCTURNLSLZLRMG-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.18
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625
N-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine
CID 62567648
N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 62567503
N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine
CID 62565568
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine
CID 62576712
N-(2-butoxyethyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 106046388
2-(3-bromophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 55070509
2-butylsulfanyl-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 62578252
N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine
CID 64739740
N-[(5-chlorothiophen-2-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 28580132
N-[(5-chlorothiophen-2-yl)methyl]pent-3-yn-1-amine
CID 104806987

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine (CID 65023787) is 2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine is ClCCOCCNCc1ccc(Cl)s1.
What is the InChIKey of 2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine?
The InChIKey is UCTURNLSLZLRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2NOS/c10-3-5-13-6-4-12-7-8-1-2-9(11)14-8/h1-2,12H,3-7H2.
What are the key properties of 2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine?
2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine has a molecular weight of 254.18 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 65023787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).