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

C13H14ClN3O — CID 112608649

IUPAC1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Cl)c1OCc1ncccn1
InChIInChI=1S/C13H14ClN3O/c1-15-8-10-4-2-5-11(14)13(10)18-9-12-16-6-3-7-17-12/h2-7,15H,8-9H2,1H3
InChIKeyZQRMZRARHXSMCU-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.43
Rot. Bonds5

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

1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine (PubChem CID 112608649) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
PubChem CID112608649
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Cl)c1OCc1ncccn1
InChIInChI=1S/C13H14ClN3O/c1-15-8-10-4-2-5-11(14)13(10)18-9-12-16-6-3-7-17-12/h2-7,15H,8-9H2,1H3
InChIKeyZQRMZRARHXSMCU-UHFFFAOYSA-N
XLogP2.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 112608398
2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine
CID 112613819
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608705
1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608626
3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol
CID 112608572
1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608676
1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 112608474
1-[3-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608591
1-[3-chloro-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608679
1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol
CID 115952355
1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 114345835

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine (CID 112608649) is 1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine is CNCc1cccc(Cl)c1OCc1ncccn1.
What is the InChIKey of 1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine?
The InChIKey is ZQRMZRARHXSMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-15-8-10-4-2-5-11(14)13(10)18-9-12-16-6-3-7-17-12/h2-7,15H,8-9H2,1H3.
What are the key properties of 1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine?
1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine has a molecular weight of 263.73 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 112608649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).