1-(3-chlorothiophen-2-yl)-2,2-diethoxy-N-methylethanamine

C11H18ClNO2S — CID 107359970

IUPAC1-(3-chlorothiophen-2-yl)-2,2-diethoxy-N-methylethanamine
SMILESCCOC(OCC)C(NC)c1sccc1Cl
InChIInChI=1S/C11H18ClNO2S/c1-4-14-11(15-5-2)9(13-3)10-8(12)6-7-16-10/h6-7,9,11,13H,4-5H2,1-3H3
InChIKeyYKENZPPCERUUCC-UHFFFAOYSA-N
MW263.79 g/mol
LogP3.06
Rot. Bonds7

About 1-(3-chlorothiophen-2-yl)-2,2-diethoxy-N-methylethanamine

1-(3-chlorothiophen-2-yl)-2,2-diethoxy-N-methylethanamine (PubChem CID 107359970) has the molecular formula C11H18ClNO2S and a molecular weight of 263.79 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2,2-diethoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2,2-diethoxy-N-methylethanamine
PubChem CID107359970
Molecular FormulaC11H18ClNO2S
Molecular Weight263.79 g/mol
Exact Mass263.07
IUPAC Name1-(3-chlorothiophen-2-yl)-2,2-diethoxy-N-methylethanamine
SMILESCCOC(OCC)C(NC)c1sccc1Cl
InChIInChI=1S/C11H18ClNO2S/c1-4-14-11(15-5-2)9(13-3)10-8(12)6-7-16-10/h6-7,9,11,13H,4-5H2,1-3H3
InChIKeyYKENZPPCERUUCC-UHFFFAOYSA-N
XLogP3.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 107360216
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83154901
1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 105013001
1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 107361690
1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine
CID 80645153
1-(3-chlorothiophen-2-yl)-2-ethoxy-3,3-dimethylbutan-1-ol
CID 107359632
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanol
CID 107359630
1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine
CID 115846498
N-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine
CID 107361897
1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine
CID 105028560
1-(3-chlorothiophen-2-yl)-N-methylprop-2-en-1-amine
CID 105000642
(2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80644143

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2,2-diethoxy-N-methylethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2,2-diethoxy-N-methylethanamine (CID 107359970) is 1-(3-chlorothiophen-2-yl)-2,2-diethoxy-N-methylethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2,2-diethoxy-N-methylethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2,2-diethoxy-N-methylethanamine is CCOC(OCC)C(NC)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2,2-diethoxy-N-methylethanamine?
The InChIKey is YKENZPPCERUUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2S/c1-4-14-11(15-5-2)9(13-3)10-8(12)6-7-16-10/h6-7,9,11,13H,4-5H2,1-3H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2,2-diethoxy-N-methylethanamine?
1-(3-chlorothiophen-2-yl)-2,2-diethoxy-N-methylethanamine has a molecular weight of 263.79 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2,2-diethoxy-N-methylethanamine is sourced from PubChem (CID 107359970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).