3-methoxy-4-[(E)-5-(4-methoxyphenyl)pent-4-enoxy]aniline

C19H23NO3 — CID 6366753

IUPAC3-methoxy-4-[(E)-5-(4-methoxyphenyl)pent-4-enoxy]aniline
SMILESCOc1ccc(/C=C/CCCOc2ccc(N)cc2OC)cc1
InChIInChI=1S/C19H23NO3/c1-21-17-10-7-15(8-11-17)6-4-3-5-13-23-18-12-9-16(20)14-19(18)22-2/h4,6-12,14H,3,5,13,20H2,1-2H3/b6-4+
InChIKeyCNTSEUQIHJMTSM-GQCTYLIASA-N
MW313.40 g/mol
LogP4.16
Rot. Bonds8

About 3-methoxy-4-[(E)-5-(4-methoxyphenyl)pent-4-enoxy]aniline

3-methoxy-4-[(E)-5-(4-methoxyphenyl)pent-4-enoxy]aniline (PubChem CID 6366753) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-methoxy-4-[(E)-5-(4-methoxyphenyl)pent-4-enoxy]aniline.

Molecular Properties

Compound Name3-methoxy-4-[(E)-5-(4-methoxyphenyl)pent-4-enoxy]aniline
PubChem CID6366753
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-methoxy-4-[(E)-5-(4-methoxyphenyl)pent-4-enoxy]aniline
SMILESCOc1ccc(/C=C/CCCOc2ccc(N)cc2OC)cc1
InChIInChI=1S/C19H23NO3/c1-21-17-10-7-15(8-11-17)6-4-3-5-13-23-18-12-9-16(20)14-19(18)22-2/h4,6-12,14H,3,5,13,20H2,1-2H3/b6-4+
InChIKeyCNTSEUQIHJMTSM-GQCTYLIASA-N
XLogP4.16
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[5-amino-2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate
CID 19598037
4-(3-ethoxypropoxy)-3-methoxyaniline
CID 65176717
3-(4-amino-2-methoxyphenoxy)propan-1-ol
CID 21422985
4-[3-(3,5-dimethylphenoxy)propoxy]-3-methoxyaniline
CID 82097195
4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine
CID 76996860
1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene
CID 46231236
ethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate
CID 59442207
4-methoxy-3-(3-phenoxypropoxy)aniline
CID 62936938
3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 62057318
3-methoxy-4-(3-phenylsulfanylpropoxy)aniline
CID 3026891
3-[5-[4-(dimethylamino)-4-oxobutoxy]-2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoic acid
CID 19598069
(E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine
CID 95444282

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(E)-5-(4-methoxyphenyl)pent-4-enoxy]aniline?
The IUPAC name of 3-methoxy-4-[(E)-5-(4-methoxyphenyl)pent-4-enoxy]aniline (CID 6366753) is 3-methoxy-4-[(E)-5-(4-methoxyphenyl)pent-4-enoxy]aniline.
What is the SMILES notation for 3-methoxy-4-[(E)-5-(4-methoxyphenyl)pent-4-enoxy]aniline?
The canonical SMILES for 3-methoxy-4-[(E)-5-(4-methoxyphenyl)pent-4-enoxy]aniline is COc1ccc(/C=C/CCCOc2ccc(N)cc2OC)cc1.
What is the InChIKey of 3-methoxy-4-[(E)-5-(4-methoxyphenyl)pent-4-enoxy]aniline?
The InChIKey is CNTSEUQIHJMTSM-GQCTYLIASA-N. The full InChI is InChI=1S/C19H23NO3/c1-21-17-10-7-15(8-11-17)6-4-3-5-13-23-18-12-9-16(20)14-19(18)22-2/h4,6-12,14H,3,5,13,20H2,1-2H3/b6-4+.
What are the key properties of 3-methoxy-4-[(E)-5-(4-methoxyphenyl)pent-4-enoxy]aniline?
3-methoxy-4-[(E)-5-(4-methoxyphenyl)pent-4-enoxy]aniline has a molecular weight of 313.40 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(E)-5-(4-methoxyphenyl)pent-4-enoxy]aniline is sourced from PubChem (CID 6366753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).