N-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine

C14H21NO — CID 63638936

IUPACN-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine
SMILESC=C(C)COc1cc(C)ccc1C(C)NC
InChIInChI=1S/C14H21NO/c1-10(2)9-16-14-8-11(3)6-7-13(14)12(4)15-5/h6-8,12,15H,1,9H2,2-5H3
InChIKeyHKMNMYPRJBWKOK-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.23
Rot. Bonds5

About N-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine

N-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine (PubChem CID 63638936) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine
PubChem CID63638936
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine
SMILESC=C(C)COc1cc(C)ccc1C(C)NC
InChIInChI=1S/C14H21NO/c1-10(2)9-16-14-8-11(3)6-7-13(14)12(4)15-5/h6-8,12,15H,1,9H2,2-5H3
InChIKeyHKMNMYPRJBWKOK-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 63639272
N,N-dimethyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639445
N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63638956
N-cyclopropyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639605
N-butan-2-yl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639767
1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine
CID 63640120
2,2-dimethyl-3-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]propanoic acid
CID 79630191
1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene
CID 19047064
N-(2-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639941
1-[5-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60889792
1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol
CID 114472830
N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 63639606

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine (CID 63638936) is N-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine is C=C(C)COc1cc(C)ccc1C(C)NC.
What is the InChIKey of N-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine?
The InChIKey is HKMNMYPRJBWKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)9-16-14-8-11(3)6-7-13(14)12(4)15-5/h6-8,12,15H,1,9H2,2-5H3.
What are the key properties of N-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine?
N-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine is sourced from PubChem (CID 63638936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).