(Z)-2-[3-ethenyl-4-[(4-fluorophenyl)methyl]phenyl]-3-iminoprop-1-en-1-amine

C18H17FN2 — CID 139501610

IUPAC(Z)-2-[3-ethenyl-4-[(4-fluorophenyl)methyl]phenyl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)c1ccc(Cc2ccc(F)cc2)c(C=C)c1
InChIInChI=1S/C18H17FN2/c1-2-14-10-16(17(11-20)12-21)6-5-15(14)9-13-3-7-18(19)8-4-13/h2-8,10-12,20H,1,9,21H2/b17-12+,20-11+
InChIKeyPAPZPQYATPCYAB-OZTBWLCUSA-N
MW280.35 g/mol
LogP4.01
Rot. Bonds5

About (Z)-2-[3-ethenyl-4-[(4-fluorophenyl)methyl]phenyl]-3-iminoprop-1-en-1-amine

(Z)-2-[3-ethenyl-4-[(4-fluorophenyl)methyl]phenyl]-3-iminoprop-1-en-1-amine (PubChem CID 139501610) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is (Z)-2-[3-ethenyl-4-[(4-fluorophenyl)methyl]phenyl]-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[3-ethenyl-4-[(4-fluorophenyl)methyl]phenyl]-3-iminoprop-1-en-1-amine
PubChem CID139501610
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name(Z)-2-[3-ethenyl-4-[(4-fluorophenyl)methyl]phenyl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)c1ccc(Cc2ccc(F)cc2)c(C=C)c1
InChIInChI=1S/C18H17FN2/c1-2-14-10-16(17(11-20)12-21)6-5-15(14)9-13-3-7-18(19)8-4-13/h2-8,10-12,20H,1,9,21H2/b17-12+,20-11+
InChIKeyPAPZPQYATPCYAB-OZTBWLCUSA-N
XLogP4.01
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[3-ethenyl-4-[(4-fluorophenyl)methyl]phenyl]-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-[3-ethenyl-4-[(4-fluorophenyl)methyl]phenyl]-3-iminoprop-1-en-1-amine (CID 139501610) is (Z)-2-[3-ethenyl-4-[(4-fluorophenyl)methyl]phenyl]-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-[3-ethenyl-4-[(4-fluorophenyl)methyl]phenyl]-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-[3-ethenyl-4-[(4-fluorophenyl)methyl]phenyl]-3-iminoprop-1-en-1-amine is [H]/N=C/C(=C\N)c1ccc(Cc2ccc(F)cc2)c(C=C)c1.
What is the InChIKey of (Z)-2-[3-ethenyl-4-[(4-fluorophenyl)methyl]phenyl]-3-iminoprop-1-en-1-amine?
The InChIKey is PAPZPQYATPCYAB-OZTBWLCUSA-N. The full InChI is InChI=1S/C18H17FN2/c1-2-14-10-16(17(11-20)12-21)6-5-15(14)9-13-3-7-18(19)8-4-13/h2-8,10-12,20H,1,9,21H2/b17-12+,20-11+.
What are the key properties of (Z)-2-[3-ethenyl-4-[(4-fluorophenyl)methyl]phenyl]-3-iminoprop-1-en-1-amine?
(Z)-2-[3-ethenyl-4-[(4-fluorophenyl)methyl]phenyl]-3-iminoprop-1-en-1-amine has a molecular weight of 280.35 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[3-ethenyl-4-[(4-fluorophenyl)methyl]phenyl]-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 139501610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).