1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine

C15H18ClNO2S — CID 105035225

IUPAC1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
SMILESCNC(c1ccccc1OCCOC)c1sccc1Cl
InChIInChI=1S/C15H18ClNO2S/c1-17-14(15-12(16)7-10-20-15)11-5-3-4-6-13(11)19-9-8-18-2/h3-7,10,14,17H,8-9H2,1-2H3
InChIKeyZFNGBDYBKUDWPD-UHFFFAOYSA-N
MW311.83 g/mol
LogP3.74
Rot. Bonds7

About 1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine

1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine (PubChem CID 105035225) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
PubChem CID105035225
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC Name1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
SMILESCNC(c1ccccc1OCCOC)c1sccc1Cl
InChIInChI=1S/C15H18ClNO2S/c1-17-14(15-12(16)7-10-20-15)11-5-3-4-6-13(11)19-9-8-18-2/h3-7,10,14,17H,8-9H2,1-2H3
InChIKeyZFNGBDYBKUDWPD-UHFFFAOYSA-N
XLogP3.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine
CID 105334131
1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105035272
(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035341
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 104659836
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(1,3-thiazol-4-yl)methanamine
CID 104660548
1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 104659993
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 80529098
1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine
CID 80645153
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 80528928
(3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658901
[[2-(2-methoxyethoxy)phenyl]-phenylmethyl]hydrazine
CID 105199390
1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 104659871

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine (CID 105035225) is 1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine is CNC(c1ccccc1OCCOC)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine?
The InChIKey is ZFNGBDYBKUDWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2S/c1-17-14(15-12(16)7-10-20-15)11-5-3-4-6-13(11)19-9-8-18-2/h3-7,10,14,17H,8-9H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine?
1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine has a molecular weight of 311.83 g/mol, XLogP of 3.74, 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)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 105035225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).