1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine

C13H14ClNOS — CID 60882008

IUPAC1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OCc1cccs1
InChIInChI=1S/C13H14ClNOS/c1-15-8-10-7-11(14)4-5-13(10)16-9-12-3-2-6-17-12/h2-7,15H,8-9H2,1H3
InChIKeyBNXVYYBWFFVXBP-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.70
Rot. Bonds5

About 1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine

1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine (PubChem CID 60882008) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
PubChem CID60882008
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OCc1cccs1
InChIInChI=1S/C13H14ClNOS/c1-15-8-10-7-11(14)4-5-13(10)16-9-12-3-2-6-17-12/h2-7,15H,8-9H2,1H3
InChIKeyBNXVYYBWFFVXBP-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

N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 2941503
1-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60889067
1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60882194
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 62699888
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 17290374
1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43646631
1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658765
1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 60883508
1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine
CID 104796118
N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 60882928
N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63326619

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine (CID 60882008) is 1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1OCc1cccs1.
What is the InChIKey of 1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine?
The InChIKey is BNXVYYBWFFVXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-15-8-10-7-11(14)4-5-13(10)16-9-12-3-2-6-17-12/h2-7,15H,8-9H2,1H3.
What are the key properties of 1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(thiophen-2-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-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 60882008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).