N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine

C14H17N3O — CID 112608398

IUPACN-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
SMILESCNCc1cccc(C)c1OCc1ncccn1
InChIInChI=1S/C14H17N3O/c1-11-5-3-6-12(9-15-2)14(11)18-10-13-16-7-4-8-17-13/h3-8,15H,9-10H2,1-2H3
InChIKeyDJDRQZXQFNVVFB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.08
Rot. Bonds5

About N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine

N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine (PubChem CID 112608398) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
PubChem CID112608398
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
SMILESCNCc1cccc(C)c1OCc1ncccn1
InChIInChI=1S/C14H17N3O/c1-11-5-3-6-12(9-15-2)14(11)18-10-13-16-7-4-8-17-13/h3-8,15H,9-10H2,1-2H3
InChIKeyDJDRQZXQFNVVFB-UHFFFAOYSA-N
XLogP2.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608649
1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952135
1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952133
1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952132
1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 112608449
1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 115952256
2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
CID 112608438
1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 112608310
1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952206
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228
1-(2-decoxy-3-methylphenyl)-N-methylmethanamine
CID 115952261

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine (CID 112608398) is N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine is CNCc1cccc(C)c1OCc1ncccn1.
What is the InChIKey of N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine?
The InChIKey is DJDRQZXQFNVVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-5-3-6-12(9-15-2)14(11)18-10-13-16-7-4-8-17-13/h3-8,15H,9-10H2,1-2H3.
What are the key properties of N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine?
N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 112608398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).