N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine

C13H21NO — CID 106680438

IUPACN-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
SMILESCCNC(C)c1c(C)cc(C)cc1OC
InChIInChI=1S/C13H21NO/c1-6-14-11(4)13-10(3)7-9(2)8-12(13)15-5/h7-8,11,14H,6H2,1-5H3
InChIKeyDUQUSQUGYXACSZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.98
Rot. Bonds4

About N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine

N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine (PubChem CID 106680438) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
PubChem CID106680438
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
SMILESCCNC(C)c1c(C)cc(C)cc1OC
InChIInChI=1S/C13H21NO/c1-6-14-11(4)13-10(3)7-9(2)8-12(13)15-5/h7-8,11,14H,6H2,1-5H3
InChIKeyDUQUSQUGYXACSZ-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588
2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680622
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
CID 106682491
N-[(2-methoxy-4,6-dimethylphenyl)-(1-methylcyclopropyl)methyl]ethanamine
CID 106680802
N-ethyl-1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
CID 106681143
N-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 106680796
N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680359
N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680669
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116934935
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine
CID 116950363
N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680926
N-[(2-methoxy-4,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830788

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine (CID 106680438) is N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine is CCNC(C)c1c(C)cc(C)cc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine?
The InChIKey is DUQUSQUGYXACSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-6-14-11(4)13-10(3)7-9(2)8-12(13)15-5/h7-8,11,14H,6H2,1-5H3.
What are the key properties of N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine?
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine is sourced from PubChem (CID 106680438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).