1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine

C13H14BrN3O — CID 55145987

IUPAC1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ncccn2)c(Br)c1
InChIInChI=1S/C13H14BrN3O/c1-15-8-10-3-4-12(11(14)7-10)18-9-13-16-5-2-6-17-13/h2-7,15H,8-9H2,1H3
InChIKeyWYTRFWAMBCDXDF-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.54
Rot. Bonds5

About 1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine

1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine (PubChem CID 55145987) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
PubChem CID55145987
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ncccn2)c(Br)c1
InChIInChI=1S/C13H14BrN3O/c1-15-8-10-3-4-12(11(14)7-10)18-9-13-16-5-2-6-17-13/h2-7,15H,8-9H2,1H3
InChIKeyWYTRFWAMBCDXDF-UHFFFAOYSA-N
XLogP2.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 63045660
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
N-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62698762
1-[3-bromo-4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 79704143
1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine
CID 82927336
1-[3-[(2-bromo-4-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459792
1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 63045148
1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 63044631
1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 62699888
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 63044978
3-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-2-fluorobenzonitrile
CID 107114250
1-[3-bromo-4-[(2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 102772944

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine (CID 55145987) is 1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine is CNCc1ccc(OCc2ncccn2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine?
The InChIKey is WYTRFWAMBCDXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-15-8-10-3-4-12(11(14)7-10)18-9-13-16-5-2-6-17-13/h2-7,15H,8-9H2,1H3.
What are the key properties of 1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine?
1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine has a molecular weight of 308.18 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 55145987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).