1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine

C13H14ClNOS — CID 112608676

IUPAC1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Cl)c1OCc1ccsc1
InChIInChI=1S/C13H14ClNOS/c1-15-7-11-3-2-4-12(14)13(11)16-8-10-5-6-17-9-10/h2-6,9,15H,7-8H2,1H3
InChIKeyGKXNECRXFCJTCY-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.70
Rot. Bonds5

About 1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine

1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine (PubChem CID 112608676) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine
PubChem CID112608676
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Cl)c1OCc1ccsc1
InChIInChI=1S/C13H14ClNOS/c1-15-7-11-3-2-4-12(14)13(11)16-8-10-5-6-17-9-10/h2-6,9,15H,7-8H2,1H3
InChIKeyGKXNECRXFCJTCY-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol
CID 112608572
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608649
N-[[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-2-amine
CID 115954535
1-[3-chloro-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 112608537
1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 112608474
1-[3-chloro-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608679
5-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]-2-fluorobenzonitrile
CID 107879775
[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine
CID 112607618
1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 114345835
1-[3-chloro-2-(3-methylsulfonylpropoxy)phenyl]-N-methylmethanamine
CID 112608503
1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952133

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine (CID 112608676) is 1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine is CNCc1cccc(Cl)c1OCc1ccsc1.
What is the InChIKey of 1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine?
The InChIKey is GKXNECRXFCJTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-15-7-11-3-2-4-12(14)13(11)16-8-10-5-6-17-9-10/h2-6,9,15H,7-8H2,1H3.
What are the key properties of 1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine?
1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine has a molecular weight of 267.78 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 112608676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).