5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine

C19H23NO2 — CID 70594419

IUPAC5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine
SMILESCOc1ccc(COc2ccc(C=CCC(C)N)cc2)cc1
InChIInChI=1S/C19H23NO2/c1-15(20)4-3-5-16-6-12-19(13-7-16)22-14-17-8-10-18(21-2)11-9-17/h3,5-13,15H,4,14,20H2,1-2H3
InChIKeyCHLFIOZEBQZOAO-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.02
Rot. Bonds7

About 5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine

5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine (PubChem CID 70594419) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine.

Molecular Properties

Compound Name5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine
PubChem CID70594419
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine
SMILESCOc1ccc(COc2ccc(C=CCC(C)N)cc2)cc1
InChIInChI=1S/C19H23NO2/c1-15(20)4-3-5-16-6-12-19(13-7-16)22-14-17-8-10-18(21-2)11-9-17/h3,5-13,15H,4,14,20H2,1-2H3
InChIKeyCHLFIOZEBQZOAO-UHFFFAOYSA-N
XLogP4.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-5-(4-methoxyphenyl)pent-4-en-2-amine
CID 55254782
5-[4-[(4-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine
CID 57293388
5-[4-[(3-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine
CID 57145586
(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]hex-1-en-3-ol
CID 11324417
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
(E)-5-phenylpent-4-en-2-amine
CID 55254237
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate
CID 102494225
N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62459407
1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 101485865
1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 83123591
1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene
CID 70028075

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine?
The IUPAC name of 5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine (CID 70594419) is 5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine.
What is the SMILES notation for 5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine?
The canonical SMILES for 5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine is COc1ccc(COc2ccc(C=CCC(C)N)cc2)cc1.
What is the InChIKey of 5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine?
The InChIKey is CHLFIOZEBQZOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15(20)4-3-5-16-6-12-19(13-7-16)22-14-17-8-10-18(21-2)11-9-17/h3,5-13,15H,4,14,20H2,1-2H3.
What are the key properties of 5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine?
5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine has a molecular weight of 297.40 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-methoxyphenyl)methoxy]phenyl]pent-4-en-2-amine is sourced from PubChem (CID 70594419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).