3-[3-[(E)-2-[2-(2-methoxyethoxy)phenyl]ethenyl]phenyl]propan-1-amine

C20H25NO2 — CID 69088679

IUPAC3-[3-[(E)-2-[2-(2-methoxyethoxy)phenyl]ethenyl]phenyl]propan-1-amine
SMILESCOCCOc1ccccc1/C=C/c1cccc(CCCN)c1
InChIInChI=1S/C20H25NO2/c1-22-14-15-23-20-10-3-2-9-19(20)12-11-18-7-4-6-17(16-18)8-5-13-21/h2-4,6-7,9-12,16H,5,8,13-15,21H2,1H3/b12-11+
InChIKeyZEVVCNAXJAQWFP-VAWYXSNFSA-N
MW311.43 g/mol
LogP3.77
Rot. Bonds9

About 3-[3-[(E)-2-[2-(2-methoxyethoxy)phenyl]ethenyl]phenyl]propan-1-amine

3-[3-[(E)-2-[2-(2-methoxyethoxy)phenyl]ethenyl]phenyl]propan-1-amine (PubChem CID 69088679) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-[3-[(E)-2-[2-(2-methoxyethoxy)phenyl]ethenyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-[(E)-2-[2-(2-methoxyethoxy)phenyl]ethenyl]phenyl]propan-1-amine
PubChem CID69088679
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name3-[3-[(E)-2-[2-(2-methoxyethoxy)phenyl]ethenyl]phenyl]propan-1-amine
SMILESCOCCOc1ccccc1/C=C/c1cccc(CCCN)c1
InChIInChI=1S/C20H25NO2/c1-22-14-15-23-20-10-3-2-9-19(20)12-11-18-7-4-6-17(16-18)8-5-13-21/h2-4,6-7,9-12,16H,5,8,13-15,21H2,1H3/b12-11+
InChIKeyZEVVCNAXJAQWFP-VAWYXSNFSA-N
XLogP3.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine
CID 20555192
3-[3-[(Z)-2-(2,5-dimethylphenyl)ethenyl]phenyl]propan-1-amine
CID 25100109
3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
CID 170879181
4-[3-(2-methoxyethyl)phenyl]butan-1-amine
CID 117115617
5-[3-bromo-4-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 113438566
3-[3-(2-ethenyl-6-methoxyphenyl)phenyl]propan-1-amine
CID 141222955
3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-ol
CID 21078223
3-(3-methylphenyl)propan-1-amine
CID 12666388
1-[(E)-4-bromobut-1-enyl]-2-(2-methoxyethoxy)benzene
CID 104663298
2-[2-(2-iodoethenyl)phenoxy]ethyl acetate
CID 54286183
2-[2-[2-[3-fluoro-4-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]phenyl]ethenyl]phenyl]ethenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 123294887
1-(methoxymethoxy)-3-[4-(2-phenylmethoxyphenyl)buta-1,3-dienyl]benzene
CID 54436415

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(E)-2-[2-(2-methoxyethoxy)phenyl]ethenyl]phenyl]propan-1-amine?
The IUPAC name of 3-[3-[(E)-2-[2-(2-methoxyethoxy)phenyl]ethenyl]phenyl]propan-1-amine (CID 69088679) is 3-[3-[(E)-2-[2-(2-methoxyethoxy)phenyl]ethenyl]phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-[(E)-2-[2-(2-methoxyethoxy)phenyl]ethenyl]phenyl]propan-1-amine?
The canonical SMILES for 3-[3-[(E)-2-[2-(2-methoxyethoxy)phenyl]ethenyl]phenyl]propan-1-amine is COCCOc1ccccc1/C=C/c1cccc(CCCN)c1.
What is the InChIKey of 3-[3-[(E)-2-[2-(2-methoxyethoxy)phenyl]ethenyl]phenyl]propan-1-amine?
The InChIKey is ZEVVCNAXJAQWFP-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H25NO2/c1-22-14-15-23-20-10-3-2-9-19(20)12-11-18-7-4-6-17(16-18)8-5-13-21/h2-4,6-7,9-12,16H,5,8,13-15,21H2,1H3/b12-11+.
What are the key properties of 3-[3-[(E)-2-[2-(2-methoxyethoxy)phenyl]ethenyl]phenyl]propan-1-amine?
3-[3-[(E)-2-[2-(2-methoxyethoxy)phenyl]ethenyl]phenyl]propan-1-amine has a molecular weight of 311.43 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(E)-2-[2-(2-methoxyethoxy)phenyl]ethenyl]phenyl]propan-1-amine is sourced from PubChem (CID 69088679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).