N-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine

C15H23NO2 — CID 55204163

IUPACN-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine
SMILESCNCc1cc(C)ccc1OCC1CCOCC1
InChIInChI=1S/C15H23NO2/c1-12-3-4-15(14(9-12)10-16-2)18-11-13-5-7-17-8-6-13/h3-4,9,13,16H,5-8,10-11H2,1-2H3
InChIKeyRGTQKNOPSGBNIE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.52
Rot. Bonds5

About N-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine

N-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine (PubChem CID 55204163) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine
PubChem CID55204163
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine
SMILESCNCc1cc(C)ccc1OCC1CCOCC1
InChIInChI=1S/C15H23NO2/c1-12-3-4-15(14(9-12)10-16-2)18-11-13-5-7-17-8-6-13/h3-4,9,13,16H,5-8,10-11H2,1-2H3
InChIKeyRGTQKNOPSGBNIE-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 63325810
[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol
CID 54595110
N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 55204741
1-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 43560073
5-methyl-2-(oxan-4-ylmethoxy)benzenecarbothioamide
CID 107929588
N-[[5-bromo-2-(oxan-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63058191
N-methyl-1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 63323660
N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine
CID 62386201
1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methylphenyl]-N-methylmethanamine
CID 66419666
N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239
3-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 62384806
[2-(cyclopentylmethoxy)-5-methylphenyl]methanol
CID 63325672

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine (CID 55204163) is N-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine is CNCc1cc(C)ccc1OCC1CCOCC1.
What is the InChIKey of N-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine?
The InChIKey is RGTQKNOPSGBNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-3-4-15(14(9-12)10-16-2)18-11-13-5-7-17-8-6-13/h3-4,9,13,16H,5-8,10-11H2,1-2H3.
What are the key properties of N-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine?
N-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 55204163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).