4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline

C18H21NO3 — CID 66525608

IUPAC4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
SMILESC=CCOc1ccc(CNc2ccc(OC)cc2)cc1OC
InChIInChI=1S/C18H21NO3/c1-4-11-22-17-10-5-14(12-18(17)21-3)13-19-15-6-8-16(20-2)9-7-15/h4-10,12,19H,1,11,13H2,2-3H3
InChIKeyJDQJCYLOJHHECO-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.88
Rot. Bonds8

About 4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline

4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline (PubChem CID 66525608) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
PubChem CID66525608
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
SMILESC=CCOc1ccc(CNc2ccc(OC)cc2)cc1OC
InChIInChI=1S/C18H21NO3/c1-4-11-22-17-10-5-14(12-18(17)21-3)13-19-15-6-8-16(20-2)9-7-15/h4-10,12,19H,1,11,13H2,2-3H3
InChIKeyJDQJCYLOJHHECO-UHFFFAOYSA-N
XLogP3.88
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-4-methoxyaniline
CID 126127925
4-ethoxy-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 126126146
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-methoxyaniline
CID 23792149
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2,4-dimethylaniline
CID 126120336
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-3,4-dimethylaniline
CID 126121742
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline
CID 50888447
2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 126123547
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]pentan-3-amine
CID 78804015
4-bromo-3-methoxy-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 82859870
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]cycloheptanamine
CID 4721038
3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 17206660
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]hexan-1-amine
CID 4716850

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline?
The IUPAC name of 4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline (CID 66525608) is 4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline?
The canonical SMILES for 4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline is C=CCOc1ccc(CNc2ccc(OC)cc2)cc1OC.
What is the InChIKey of 4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline?
The InChIKey is JDQJCYLOJHHECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-11-22-17-10-5-14(12-18(17)21-3)13-19-15-6-8-16(20-2)9-7-15/h4-10,12,19H,1,11,13H2,2-3H3.
What are the key properties of 4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline?
4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline has a molecular weight of 299.37 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline is sourced from PubChem (CID 66525608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).