2-[(E)-2-amino-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethenyl]-5-methoxy-4-(2-methoxyethoxy)aniline

C23H31N3O5 — CID 143534283

IUPAC2-[(E)-2-amino-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethenyl]-5-methoxy-4-(2-methoxyethoxy)aniline
SMILESCOCCOc1cc(/C(=C\N)N2CCOC(c3ccc(OC)cc3)C2)c(N)cc1OC
InChIInChI=1S/C23H31N3O5/c1-27-10-11-31-22-12-18(19(25)13-21(22)29-3)20(14-24)26-8-9-30-23(15-26)16-4-6-17(28-2)7-5-16/h4-7,12-14,23H,8-11,15,24-25H2,1-3H3/b20-14+
InChIKeyZCKLPKMCCGPFNB-XSFVSMFZSA-N
MW429.52 g/mol
LogP2.64
Rot. Bonds9

About 2-[(E)-2-amino-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethenyl]-5-methoxy-4-(2-methoxyethoxy)aniline

2-[(E)-2-amino-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethenyl]-5-methoxy-4-(2-methoxyethoxy)aniline (PubChem CID 143534283) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[(E)-2-amino-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethenyl]-5-methoxy-4-(2-methoxyethoxy)aniline.

Molecular Properties

Compound Name2-[(E)-2-amino-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethenyl]-5-methoxy-4-(2-methoxyethoxy)aniline
PubChem CID143534283
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC Name2-[(E)-2-amino-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethenyl]-5-methoxy-4-(2-methoxyethoxy)aniline
SMILESCOCCOc1cc(/C(=C\N)N2CCOC(c3ccc(OC)cc3)C2)c(N)cc1OC
InChIInChI=1S/C23H31N3O5/c1-27-10-11-31-22-12-18(19(25)13-21(22)29-3)20(14-24)26-8-9-30-23(15-26)16-4-6-17(28-2)7-5-16/h4-7,12-14,23H,8-11,15,24-25H2,1-3H3/b20-14+
InChIKeyZCKLPKMCCGPFNB-XSFVSMFZSA-N
XLogP2.64
TPSA101.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-amino-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethenyl]-5-methoxy-4-(2-methoxyethoxy)aniline?
The IUPAC name of 2-[(E)-2-amino-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethenyl]-5-methoxy-4-(2-methoxyethoxy)aniline (CID 143534283) is 2-[(E)-2-amino-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethenyl]-5-methoxy-4-(2-methoxyethoxy)aniline.
What is the SMILES notation for 2-[(E)-2-amino-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethenyl]-5-methoxy-4-(2-methoxyethoxy)aniline?
The canonical SMILES for 2-[(E)-2-amino-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethenyl]-5-methoxy-4-(2-methoxyethoxy)aniline is COCCOc1cc(/C(=C\N)N2CCOC(c3ccc(OC)cc3)C2)c(N)cc1OC.
What is the InChIKey of 2-[(E)-2-amino-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethenyl]-5-methoxy-4-(2-methoxyethoxy)aniline?
The InChIKey is ZCKLPKMCCGPFNB-XSFVSMFZSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-27-10-11-31-22-12-18(19(25)13-21(22)29-3)20(14-24)26-8-9-30-23(15-26)16-4-6-17(28-2)7-5-16/h4-7,12-14,23H,8-11,15,24-25H2,1-3H3/b20-14+.
What are the key properties of 2-[(E)-2-amino-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethenyl]-5-methoxy-4-(2-methoxyethoxy)aniline?
2-[(E)-2-amino-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethenyl]-5-methoxy-4-(2-methoxyethoxy)aniline has a molecular weight of 429.52 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-amino-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethenyl]-5-methoxy-4-(2-methoxyethoxy)aniline is sourced from PubChem (CID 143534283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).