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

C24H24FNO2 — CID 126120783

IUPACN-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]aniline
SMILESC=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1ccc(F)cc1
InChIInChI=1S/C24H24FNO2/c1-3-7-20-14-19(16-26-22-8-5-4-6-9-22)15-23(27-2)24(20)28-17-18-10-12-21(25)13-11-18/h3-6,8-15,26H,1,7,16-17H2,2H3
InChIKeyHRRLNRDFHMFBRJ-UHFFFAOYSA-N
MW377.46 g/mol
LogP5.75
Rot. Bonds9

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

N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]aniline (PubChem CID 126120783) has the molecular formula C24H24FNO2 and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]aniline
PubChem CID126120783
Molecular FormulaC24H24FNO2
Molecular Weight377.46 g/mol
Exact Mass377.18
IUPAC NameN-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]aniline
SMILESC=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1ccc(F)cc1
InChIInChI=1S/C24H24FNO2/c1-3-7-20-14-19(16-26-22-8-5-4-6-9-22)15-23(27-2)24(20)28-17-18-10-12-21(25)13-11-18/h3-6,8-15,26H,1,7,16-17H2,2H3
InChIKeyHRRLNRDFHMFBRJ-UHFFFAOYSA-N
XLogP5.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.75
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-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methyl]aniline
CID 126120667
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-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 17213394
N-[(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)methyl]aniline
CID 126122017
N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126122230
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline
CID 126122280
3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]-4-methylaniline
CID 126118020
(NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine
CID 126081313
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-ethylaniline
CID 126124834
N-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-methylaniline
CID 126116176
N-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methyl]-3-methylaniline
CID 126118027

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]aniline?
The IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]aniline (CID 126120783) is N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]aniline.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]aniline?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]aniline is C=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1ccc(F)cc1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]aniline?
The InChIKey is HRRLNRDFHMFBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2/c1-3-7-20-14-19(16-26-22-8-5-4-6-9-22)15-23(27-2)24(20)28-17-18-10-12-21(25)13-11-18/h3-6,8-15,26H,1,7,16-17H2,2H3.
What are the key properties of N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]aniline?
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]aniline has a molecular weight of 377.46 g/mol, XLogP of 5.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]aniline is sourced from PubChem (CID 126120783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).