N-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine

C12H17NO2 — CID 117296323

IUPACN-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine
SMILESC=C(C)COc1ccccc1CNOC
InChIInChI=1S/C12H17NO2/c1-10(2)9-15-12-7-5-4-6-11(12)8-13-14-3/h4-7,13H,1,8-9H2,2-3H3
InChIKeyHLXOCMOUEZNNIR-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.29
Rot. Bonds6

About N-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine

N-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine (PubChem CID 117296323) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine
PubChem CID117296323
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine
SMILESC=C(C)COc1ccccc1CNOC
InChIInChI=1S/C12H17NO2/c1-10(2)9-15-12-7-5-4-6-11(12)8-13-14-3/h4-7,13H,1,8-9H2,2-3H3
InChIKeyHLXOCMOUEZNNIR-UHFFFAOYSA-N
XLogP2.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849925
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 54850060
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
N',N'-diethyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethane-1,2-diamine
CID 54849249
1-[2-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117296327
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
3,5-dimethyl-2-[[[2-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]-1H-pyridin-4-one
CID 50968651
4-[[[2-(2-methylprop-2-enoxy)phenyl]methylamino]methyl]benzenesulfonamide
CID 46999503
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691
2-(1H-imidazol-5-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 46991408
2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54847740
N-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
CID 54847985

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine?
The IUPAC name of N-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine (CID 117296323) is N-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine.
What is the SMILES notation for N-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine?
The canonical SMILES for N-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine is C=C(C)COc1ccccc1CNOC.
What is the InChIKey of N-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine?
The InChIKey is HLXOCMOUEZNNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(2)9-15-12-7-5-4-6-11(12)8-13-14-3/h4-7,13H,1,8-9H2,2-3H3.
What are the key properties of N-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine?
N-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine has a molecular weight of 207.27 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine is sourced from PubChem (CID 117296323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).