2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline

C18H21NO2 — CID 43677797

IUPAC2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline
SMILESC=CCOc1ccc(CNc2ccccc2COC)cc1
InChIInChI=1S/C18H21NO2/c1-3-12-21-17-10-8-15(9-11-17)13-19-18-7-5-4-6-16(18)14-20-2/h3-11,19H,1,12-14H2,2H3
InChIKeyHPIYPZVXWUBYAX-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.01
Rot. Bonds8

About 2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline

2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline (PubChem CID 43677797) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline
PubChem CID43677797
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline
SMILESC=CCOc1ccc(CNc2ccccc2COC)cc1
InChIInChI=1S/C18H21NO2/c1-3-12-21-17-10-8-15(9-11-17)13-19-18-7-5-4-6-16(18)14-20-2/h3-11,19H,1,12-14H2,2H3
InChIKeyHPIYPZVXWUBYAX-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.01
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-prop-2-enoxyphenyl)methylamino]phenyl]methanol
CID 43743087
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)aniline
CID 43677844
N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 60874269
N-methoxy-1-(4-prop-2-enoxyphenyl)methanamine
CID 82706596
2,4-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 30053969
2-methoxy-4-methyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 60931237
2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 126123547
2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline
CID 62699918
N-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline
CID 62121796
4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 29045466
2-[2-[(4-ethoxyphenyl)methylamino]phenyl]acetamide
CID 43738439

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline?
The IUPAC name of 2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline (CID 43677797) is 2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline?
The canonical SMILES for 2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline is C=CCOc1ccc(CNc2ccccc2COC)cc1.
What is the InChIKey of 2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline?
The InChIKey is HPIYPZVXWUBYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-12-21-17-10-8-15(9-11-17)13-19-18-7-5-4-6-16(18)14-20-2/h3-11,19H,1,12-14H2,2H3.
What are the key properties of 2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline?
2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline has a molecular weight of 283.37 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline is sourced from PubChem (CID 43677797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).