1-(4-anilinophenoxy)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propan-2-ol

C25H28N2O3 — CID 171038223

IUPAC1-(4-anilinophenoxy)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propan-2-ol
SMILESCOc1ccccc1/C=C/CNCC(O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C25H28N2O3/c1-29-25-12-6-5-8-20(25)9-7-17-26-18-23(28)19-30-24-15-13-22(14-16-24)27-21-10-3-2-4-11-21/h2-16,23,26-28H,17-19H2,1H3/b9-7+
InChIKeyQGRFMJSLLPNIPV-VQHVLOKHSA-N
MW404.51 g/mol
LogP4.48
Rot. Bonds11

About 1-(4-anilinophenoxy)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propan-2-ol

1-(4-anilinophenoxy)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propan-2-ol (PubChem CID 171038223) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-(4-anilinophenoxy)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-anilinophenoxy)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propan-2-ol
PubChem CID171038223
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name1-(4-anilinophenoxy)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propan-2-ol
SMILESCOc1ccccc1/C=C/CNCC(O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C25H28N2O3/c1-29-25-12-6-5-8-20(25)9-7-17-26-18-23(28)19-30-24-15-13-22(14-16-24)27-21-10-3-2-4-11-21/h2-16,23,26-28H,17-19H2,1H3/b9-7+
InChIKeyQGRFMJSLLPNIPV-VQHVLOKHSA-N
XLogP4.48
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol
CID 111119048
2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-1-(4-methylphenyl)ethanol
CID 110922625
N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 78918220
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid
CID 120509471
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-methoxy-2-[(E)-3-phenoxyprop-1-enyl]benzene
CID 67215541
N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine
CID 4542946
(2R)-1-(2,2-dimethoxyethylamino)-3-phenoxypropan-2-ol
CID 2421328
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 13030875

Frequently Asked Questions

What is the IUPAC name of 1-(4-anilinophenoxy)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propan-2-ol?
The IUPAC name of 1-(4-anilinophenoxy)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propan-2-ol (CID 171038223) is 1-(4-anilinophenoxy)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propan-2-ol.
What is the SMILES notation for 1-(4-anilinophenoxy)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propan-2-ol?
The canonical SMILES for 1-(4-anilinophenoxy)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propan-2-ol is COc1ccccc1/C=C/CNCC(O)COc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-anilinophenoxy)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propan-2-ol?
The InChIKey is QGRFMJSLLPNIPV-VQHVLOKHSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-29-25-12-6-5-8-20(25)9-7-17-26-18-23(28)19-30-24-15-13-22(14-16-24)27-21-10-3-2-4-11-21/h2-16,23,26-28H,17-19H2,1H3/b9-7+.
What are the key properties of 1-(4-anilinophenoxy)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propan-2-ol?
1-(4-anilinophenoxy)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propan-2-ol has a molecular weight of 404.51 g/mol, XLogP of 4.48, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilinophenoxy)-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propan-2-ol is sourced from PubChem (CID 171038223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).