N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine

C16H21N3O2 — CID 62700076

IUPACN-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
SMILESCCCOc1ccc(CNC)c(OCc2ncccn2)c1
InChIInChI=1S/C16H21N3O2/c1-3-9-20-14-6-5-13(11-17-2)15(10-14)21-12-16-18-7-4-8-19-16/h4-8,10,17H,3,9,11-12H2,1-2H3
InChIKeyAYARDJDFJUFMON-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.56
Rot. Bonds8

About N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine

N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine (PubChem CID 62700076) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
PubChem CID62700076
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
SMILESCCCOc1ccc(CNC)c(OCc2ncccn2)c1
InChIInChI=1S/C16H21N3O2/c1-3-9-20-14-6-5-13(11-17-2)15(10-14)21-12-16-18-7-4-8-19-16/h4-8,10,17H,3,9,11-12H2,1-2H3
InChIKeyAYARDJDFJUFMON-UHFFFAOYSA-N
XLogP2.56
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine
CID 43472287
1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine
CID 65176070
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
2,2-dimethyl-4-[2-(methylaminomethyl)-5-propoxyphenoxy]butanenitrile
CID 65247087
1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine
CID 82927704
N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine
CID 62386201
N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63062146
1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 62699888
5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one
CID 60889962
[2-[(3-methyl-2-pyridinyl)methoxy]-4-propoxyphenyl]methanamine
CID 115981753
2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine
CID 62700508
2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide
CID 60889184

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine (CID 62700076) is N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine is CCCOc1ccc(CNC)c(OCc2ncccn2)c1.
What is the InChIKey of N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine?
The InChIKey is AYARDJDFJUFMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-9-20-14-6-5-13(11-17-2)15(10-14)21-12-16-18-7-4-8-19-16/h4-8,10,17H,3,9,11-12H2,1-2H3.
What are the key properties of N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine?
N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine has a molecular weight of 287.36 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 62700076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).