N-methyl-1-[3-(4-propan-2-yloxypyrimidin-2-yl)oxyphenyl]methanamine

C15H19N3O2 — CID 106486516

IUPACN-methyl-1-[3-(4-propan-2-yloxypyrimidin-2-yl)oxyphenyl]methanamine
SMILESCNCc1cccc(Oc2nccc(OC(C)C)n2)c1
InChIInChI=1S/C15H19N3O2/c1-11(2)19-14-7-8-17-15(18-14)20-13-6-4-5-12(9-13)10-16-3/h4-9,11,16H,10H2,1-3H3
InChIKeyJTFXIUHJBYEBLW-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.78
Rot. Bonds6

About N-methyl-1-[3-(4-propan-2-yloxypyrimidin-2-yl)oxyphenyl]methanamine

N-methyl-1-[3-(4-propan-2-yloxypyrimidin-2-yl)oxyphenyl]methanamine (PubChem CID 106486516) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-methyl-1-[3-(4-propan-2-yloxypyrimidin-2-yl)oxyphenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(4-propan-2-yloxypyrimidin-2-yl)oxyphenyl]methanamine
PubChem CID106486516
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-methyl-1-[3-(4-propan-2-yloxypyrimidin-2-yl)oxyphenyl]methanamine
SMILESCNCc1cccc(Oc2nccc(OC(C)C)n2)c1
InChIInChI=1S/C15H19N3O2/c1-11(2)19-14-7-8-17-15(18-14)20-13-6-4-5-12(9-13)10-16-3/h4-9,11,16H,10H2,1-3H3
InChIKeyJTFXIUHJBYEBLW-UHFFFAOYSA-N
XLogP2.78
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine
CID 106486575
N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17213643
[3-(4-methoxypyrimidin-2-yl)oxyphenyl]methanamine
CID 16774759
1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine
CID 62288969
N-methyl-1-[2-(3-methylphenoxy)-4-pyridinyl]methanamine
CID 55058261
N,N-dimethyl-4-[3-(methylaminomethyl)phenoxy]pyridine-2-carboxamide
CID 106486623
2-[3-(methylaminomethyl)phenoxy]pyridine-4-carboxamide
CID 106486567
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine
CID 142399643
N-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine
CID 63943488
1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 62324004
N-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 61211880

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(4-propan-2-yloxypyrimidin-2-yl)oxyphenyl]methanamine?
The IUPAC name of N-methyl-1-[3-(4-propan-2-yloxypyrimidin-2-yl)oxyphenyl]methanamine (CID 106486516) is N-methyl-1-[3-(4-propan-2-yloxypyrimidin-2-yl)oxyphenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(4-propan-2-yloxypyrimidin-2-yl)oxyphenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(4-propan-2-yloxypyrimidin-2-yl)oxyphenyl]methanamine is CNCc1cccc(Oc2nccc(OC(C)C)n2)c1.
What is the InChIKey of N-methyl-1-[3-(4-propan-2-yloxypyrimidin-2-yl)oxyphenyl]methanamine?
The InChIKey is JTFXIUHJBYEBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(2)19-14-7-8-17-15(18-14)20-13-6-4-5-12(9-13)10-16-3/h4-9,11,16H,10H2,1-3H3.
What are the key properties of N-methyl-1-[3-(4-propan-2-yloxypyrimidin-2-yl)oxyphenyl]methanamine?
N-methyl-1-[3-(4-propan-2-yloxypyrimidin-2-yl)oxyphenyl]methanamine has a molecular weight of 273.34 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(4-propan-2-yloxypyrimidin-2-yl)oxyphenyl]methanamine is sourced from PubChem (CID 106486516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).