1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine

C14H21NO2 — CID 43220851

IUPAC1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
SMILESC=CCOc1ccccc1CNC(C)COC
InChIInChI=1S/C14H21NO2/c1-4-9-17-14-8-6-5-7-13(14)10-15-12(2)11-16-3/h4-8,12,15H,1,9-11H2,2-3H3
InChIKeyYNWYHZKTKNLMGZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.38
Rot. Bonds8

About 1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine

1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine (PubChem CID 43220851) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
PubChem CID43220851
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
SMILESC=CCOc1ccccc1CNC(C)COC
InChIInChI=1S/C14H21NO2/c1-4-9-17-14-8-6-5-7-13(14)10-15-12(2)11-16-3/h4-8,12,15H,1,9-11H2,2-3H3
InChIKeyYNWYHZKTKNLMGZ-UHFFFAOYSA-N
XLogP2.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.38
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

4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine
CID 64604622
1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine
CID 82946208
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]pentan-3-amine
CID 54954351
(1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 8004461
N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine
CID 62442654
N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54950815
(2R)-1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
CID 791949
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
(1S)-1-(3-methylphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 81369954
(2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 775451

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine (CID 43220851) is 1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine is C=CCOc1ccccc1CNC(C)COC.
What is the InChIKey of 1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine?
The InChIKey is YNWYHZKTKNLMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-9-17-14-8-6-5-7-13(14)10-15-12(2)11-16-3/h4-8,12,15H,1,9-11H2,2-3H3.
What are the key properties of 1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine?
1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 43220851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).