1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine

C11H17NO — CID 170208514

IUPAC1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1COC
InChIInChI=1S/C11H17NO/c1-9-4-5-10(8-13-3)11(6-9)7-12-2/h4-6,12H,7-8H2,1-3H3
InChIKeyVKLBFSKDKBMPBJ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.86
Rot. Bonds4

About 1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine

1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine (PubChem CID 170208514) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine
PubChem CID170208514
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1COC
InChIInChI=1S/C11H17NO/c1-9-4-5-10(8-13-3)11(6-9)7-12-2/h4-6,12H,7-8H2,1-3H3
InChIKeyVKLBFSKDKBMPBJ-UHFFFAOYSA-N
XLogP1.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene
CID 143093796
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
ethane;2-(methoxymethyl)-1,4-dimethylbenzene
CID 143876448
N-methoxy-2-(methoxymethyl)-5-methylaniline
CID 126676119
1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63486921
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63322567
1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 114930094
1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine
CID 63323622
N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239
5-methyl-2-(methylaminomethyl)benzaldehyde
CID 142196530
1-[2-(2-iodophenoxy)-5-methylphenyl]-N-methylmethanamine
CID 114055179
1,2-diethyl-4-methylbenzene;N-methylethanamine
CID 164855873

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine (CID 170208514) is 1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine is CNCc1cc(C)ccc1COC.
What is the InChIKey of 1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine?
The InChIKey is VKLBFSKDKBMPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-4-5-10(8-13-3)11(6-9)7-12-2/h4-6,12H,7-8H2,1-3H3.
What are the key properties of 1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine?
1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine has a molecular weight of 179.26 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 170208514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).