(Z)-1-[2-amino-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]pent-3-en-1-ol

C20H23NO — CID 148732375

IUPAC(Z)-1-[2-amino-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]pent-3-en-1-ol
SMILESC/C=C\CC(O)c1cc(/C=C/c2ccc(C)cc2)ccc1N
InChIInChI=1S/C20H23NO/c1-3-4-5-20(22)18-14-17(12-13-19(18)21)11-10-16-8-6-15(2)7-9-16/h3-4,6-14,20,22H,5,21H2,1-2H3/b4-3-,11-10+
InChIKeyOBFOJBTUIDYGCD-CSWDMDPZSA-N
MW293.41 g/mol
LogP4.75
Rot. Bonds5

About (Z)-1-[2-amino-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]pent-3-en-1-ol

(Z)-1-[2-amino-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]pent-3-en-1-ol (PubChem CID 148732375) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (Z)-1-[2-amino-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]pent-3-en-1-ol.

Molecular Properties

Compound Name(Z)-1-[2-amino-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]pent-3-en-1-ol
PubChem CID148732375
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(Z)-1-[2-amino-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]pent-3-en-1-ol
SMILESC/C=C\CC(O)c1cc(/C=C/c2ccc(C)cc2)ccc1N
InChIInChI=1S/C20H23NO/c1-3-4-5-20(22)18-14-17(12-13-19(18)21)11-10-16-8-6-15(2)7-9-16/h3-4,6-14,20,22H,5,21H2,1-2H3/b4-3-,11-10+
InChIKeyOBFOJBTUIDYGCD-CSWDMDPZSA-N
XLogP4.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-amino-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]pent-3-en-1-ol?
The IUPAC name of (Z)-1-[2-amino-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]pent-3-en-1-ol (CID 148732375) is (Z)-1-[2-amino-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]pent-3-en-1-ol.
What is the SMILES notation for (Z)-1-[2-amino-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]pent-3-en-1-ol?
The canonical SMILES for (Z)-1-[2-amino-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]pent-3-en-1-ol is C/C=C\CC(O)c1cc(/C=C/c2ccc(C)cc2)ccc1N.
What is the InChIKey of (Z)-1-[2-amino-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]pent-3-en-1-ol?
The InChIKey is OBFOJBTUIDYGCD-CSWDMDPZSA-N. The full InChI is InChI=1S/C20H23NO/c1-3-4-5-20(22)18-14-17(12-13-19(18)21)11-10-16-8-6-15(2)7-9-16/h3-4,6-14,20,22H,5,21H2,1-2H3/b4-3-,11-10+.
What are the key properties of (Z)-1-[2-amino-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]pent-3-en-1-ol?
(Z)-1-[2-amino-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]pent-3-en-1-ol has a molecular weight of 293.41 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-amino-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]pent-3-en-1-ol is sourced from PubChem (CID 148732375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).