1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine

C13H13Cl2NOS — CID 60882194

IUPAC1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OCc1ccc(Cl)s1
InChIInChI=1S/C13H13Cl2NOS/c1-16-7-9-6-10(14)2-4-12(9)17-8-11-3-5-13(15)18-11/h2-6,16H,7-8H2,1H3
InChIKeyUEAVKTNAQAJPGR-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.35
Rot. Bonds5

About 1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine

1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 60882194) has the molecular formula C13H13Cl2NOS and a molecular weight of 302.23 g/mol. Its IUPAC name is 1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID60882194
Molecular FormulaC13H13Cl2NOS
Molecular Weight302.23 g/mol
Exact Mass301.01
IUPAC Name1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OCc1ccc(Cl)s1
InChIInChI=1S/C13H13Cl2NOS/c1-16-7-9-6-10(14)2-4-12(9)17-8-11-3-5-13(15)18-11/h2-6,16H,7-8H2,1H3
InChIKeyUEAVKTNAQAJPGR-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene
CID 43141982
1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60882008
1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43646631
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 62699888
N-[[5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63485288
1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 60883508
1-[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60883695
1-[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 60889448
1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658765
1-[3,5-dibromo-4-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 107741708
1-[3-bromo-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 61390194

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine (CID 60882194) is 1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1OCc1ccc(Cl)s1.
What is the InChIKey of 1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is UEAVKTNAQAJPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NOS/c1-16-7-9-6-10(14)2-4-12(9)17-8-11-3-5-13(15)18-11/h2-6,16H,7-8H2,1H3.
What are the key properties of 1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine?
1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 302.23 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 60882194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).