N-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine

C11H18ClNOS — CID 63666886

IUPACN-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine
SMILESCC(c1cccs1)N(C)CCOCCCl
InChIInChI=1S/C11H18ClNOS/c1-10(11-4-3-9-15-11)13(2)6-8-14-7-5-12/h3-4,9-10H,5-8H2,1-2H3
InChIKeyQDFVJUKFMWSIKH-UHFFFAOYSA-N
MW247.79 g/mol
LogP3.00
Rot. Bonds7

About N-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine

N-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine (PubChem CID 63666886) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine
PubChem CID63666886
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine
SMILESCC(c1cccs1)N(C)CCOCCCl
InChIInChI=1S/C11H18ClNOS/c1-10(11-4-3-9-15-11)13(2)6-8-14-7-5-12/h3-4,9-10H,5-8H2,1-2H3
InChIKeyQDFVJUKFMWSIKH-UHFFFAOYSA-N
XLogP3.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 53.00
H-Bond Donors ≤ 50
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-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine
CID 60700084
N-methyl-N-(2-phenylethyl)-1-thiophen-2-ylethanamine
CID 78827605
N-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556118
1-N-methyl-1-N-(1-thiophen-2-ylethyl)hexane-1,5-diamine
CID 82853429
N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine
CID 60699685
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 134794915
N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine
CID 62431531
1-chloro-N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide
CID 63664720
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine
CID 81058853
4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
CID 62478000
2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol
CID 3076675
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine (CID 63666886) is N-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine is CC(c1cccs1)N(C)CCOCCCl.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine?
The InChIKey is QDFVJUKFMWSIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c1-10(11-4-3-9-15-11)13(2)6-8-14-7-5-12/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine?
N-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine has a molecular weight of 247.79 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine is sourced from PubChem (CID 63666886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).