N-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methyl]aniline

C25H27NO2 — CID 126120667

IUPACN-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methyl]aniline
SMILESC=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1ccc(C)cc1
InChIInChI=1S/C25H27NO2/c1-4-8-22-15-21(17-26-23-9-6-5-7-10-23)16-24(27-3)25(22)28-18-20-13-11-19(2)12-14-20/h4-7,9-16,26H,1,8,17-18H2,2-3H3
InChIKeyJFFRMVZSKDFNPJ-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.92
Rot. Bonds9

About N-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methyl]aniline

N-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methyl]aniline (PubChem CID 126120667) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methyl]aniline
PubChem CID126120667
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC NameN-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methyl]aniline
SMILESC=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1ccc(C)cc1
InChIInChI=1S/C25H27NO2/c1-4-8-22-15-21(17-26-23-9-6-5-7-10-23)16-24(27-3)25(22)28-18-20-13-11-19(2)12-14-20/h4-7,9-16,26H,1,8,17-18H2,2-3H3
InChIKeyJFFRMVZSKDFNPJ-UHFFFAOYSA-N
XLogP5.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.92
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

N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]aniline
CID 126120783
N-[[4-[(4-bromophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-3-methylaniline
CID 126116734
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-4-ethylaniline
CID 126125791
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline
CID 126122280
N-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-3-methylaniline
CID 126118027
3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-4-methylaniline
CID 126118020
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-3-methylaniline
CID 126115921
N-[(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methyl]-4-methylaniline
CID 126125593
N-[(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)methyl]aniline
CID 126122017
N-[[4-[(4-bromophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-3-chloro-2-methylaniline
CID 126141196
N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-2-methylaniline
CID 126127366
N-[[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methyl]-4-methylaniline
CID 126125683

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methyl]aniline?
The IUPAC name of N-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methyl]aniline (CID 126120667) is N-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methyl]aniline.
What is the SMILES notation for N-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methyl]aniline?
The canonical SMILES for N-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methyl]aniline is C=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1ccc(C)cc1.
What is the InChIKey of N-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methyl]aniline?
The InChIKey is JFFRMVZSKDFNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-4-8-22-15-21(17-26-23-9-6-5-7-10-23)16-24(27-3)25(22)28-18-20-13-11-19(2)12-14-20/h4-7,9-16,26H,1,8,17-18H2,2-3H3.
What are the key properties of N-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methyl]aniline?
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methyl]aniline has a molecular weight of 373.50 g/mol, XLogP of 5.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methyl]aniline is sourced from PubChem (CID 126120667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).