1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine

C18H21NO2 — CID 43220519

IUPAC1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine
SMILESC=CCOc1ccccc1CNCc1ccc(OC)cc1
InChIInChI=1S/C18H21NO2/c1-3-12-21-18-7-5-4-6-16(18)14-19-13-15-8-10-17(20-2)11-9-15/h3-11,19H,1,12-14H2,2H3
InChIKeyIVDBILGDAAEJJA-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.55
Rot. Bonds8

About 1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine

1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine (PubChem CID 43220519) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine
PubChem CID43220519
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine
SMILESC=CCOc1ccccc1CNCc1ccc(OC)cc1
InChIInChI=1S/C18H21NO2/c1-3-12-21-18-7-5-4-6-16(18)14-19-13-15-8-10-17(20-2)11-9-15/h3-11,19H,1,12-14H2,2H3
InChIKeyIVDBILGDAAEJJA-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
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

1-(4-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 17054326
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332601
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 738542
N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 43221042
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724078
N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine
CID 115866301
N-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 163367032
2-(4-methoxyphenyl)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17097941
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine (CID 43220519) is 1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine is C=CCOc1ccccc1CNCc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine?
The InChIKey is IVDBILGDAAEJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-12-21-18-7-5-4-6-16(18)14-19-13-15-8-10-17(20-2)11-9-15/h3-11,19H,1,12-14H2,2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine?
1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine has a molecular weight of 283.37 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine is sourced from PubChem (CID 43220519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).