N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine

C13H21NO — CID 115259441

IUPACN-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
SMILESCCN(C)Cc1cc(C)cc(C)c1OC
InChIInChI=1S/C13H21NO/c1-6-14(4)9-12-8-10(2)7-11(3)13(12)15-5/h7-8H,6,9H2,1-5H3
InChIKeyUYKUPYNIZUTMNM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.76
Rot. Bonds4

About N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine

N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine (PubChem CID 115259441) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
PubChem CID115259441
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
SMILESCCN(C)Cc1cc(C)cc(C)c1OC
InChIInChI=1S/C13H21NO/c1-6-14(4)9-12-8-10(2)7-11(3)13(12)15-5/h7-8H,6,9H2,1-5H3
InChIKeyUYKUPYNIZUTMNM-UHFFFAOYSA-N
XLogP2.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
CID 115214945
1-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115137018
1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136038
4-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]butanenitrile
CID 115231823
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679
methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate
CID 115190641
1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115168389
1-(5-chloro-2-methoxy-3-methylphenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263199
2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115259034
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine
CID 115226227
2-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137616
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151967

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine?
The IUPAC name of N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine (CID 115259441) is N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine.
What is the SMILES notation for N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine?
The canonical SMILES for N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine is CCN(C)Cc1cc(C)cc(C)c1OC.
What is the InChIKey of N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine?
The InChIKey is UYKUPYNIZUTMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-6-14(4)9-12-8-10(2)7-11(3)13(12)15-5/h7-8H,6,9H2,1-5H3.
What are the key properties of N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine?
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 115259441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).