2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine

C12H17NO2 — CID 103066711

IUPAC2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COc1ccc(OC)cc1
InChIInChI=1S/C12H17NO2/c1-10(8-13-2)9-15-12-6-4-11(14-3)5-7-12/h4-7,13H,1,8-9H2,2-3H3
InChIKeyMRCYHRCJNNBNOO-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.85
Rot. Bonds6

About 2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine

2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine (PubChem CID 103066711) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine
PubChem CID103066711
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COc1ccc(OC)cc1
InChIInChI=1S/C12H17NO2/c1-10(8-13-2)9-15-12-6-4-11(14-3)5-7-12/h4-7,13H,1,8-9H2,2-3H3
InChIKeyMRCYHRCJNNBNOO-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]ethanol
CID 107709367
N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066708
2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine
CID 103066721
N-[4-[2-(methylaminomethyl)prop-2-enoxy]phenyl]acetamide
CID 103074266
2-[(4-chloro-3-methylphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066340
2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066700
1-methoxy-4-(3-methyl-2-methylidenebut-3-enoxy)benzene
CID 11117166
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
1-(4-methoxyphenoxy)-N-methylmethanamine
CID 22961125
2-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylprop-2-en-1-amine
CID 103067305
N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine
CID 103066550
2-[(3,5-dimethoxyphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103067008

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine (CID 103066711) is 2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine is C=C(CNC)COc1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine?
The InChIKey is MRCYHRCJNNBNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(8-13-2)9-15-12-6-4-11(14-3)5-7-12/h4-7,13H,1,8-9H2,2-3H3.
What are the key properties of 2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine?
2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine has a molecular weight of 207.27 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103066711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).