(E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine

C23H20FN — CID 25006024

IUPAC(E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine
SMILESC[C@@H](NC/C=C/C#Cc1ccccc1F)c1cccc2ccccc12
InChIInChI=1S/C23H20FN/c1-18(21-15-9-13-19-10-4-6-14-22(19)21)25-17-8-2-3-11-20-12-5-7-16-23(20)24/h2,4-10,12-16,18,25H,17H2,1H3/b8-2+/t18-/m1/s1
InChIKeyOUCZCMRRDPYVEF-ZHLNUILUSA-N
MW329.42 g/mol
LogP5.24
Rot. Bonds4

About (E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine

(E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine (PubChem CID 25006024) has the molecular formula C23H20FN and a molecular weight of 329.42 g/mol. Its IUPAC name is (E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine.

Molecular Properties

Compound Name(E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine
PubChem CID25006024
Molecular FormulaC23H20FN
Molecular Weight329.42 g/mol
Exact Mass329.16
IUPAC Name(E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine
SMILESC[C@@H](NC/C=C/C#Cc1ccccc1F)c1cccc2ccccc12
InChIInChI=1S/C23H20FN/c1-18(21-15-9-13-19-10-4-6-14-22(19)21)25-17-8-2-3-11-20-12-5-7-16-23(20)24/h2,4-10,12-16,18,25H,17H2,1H3/b8-2+/t18-/m1/s1
InChIKeyOUCZCMRRDPYVEF-ZHLNUILUSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine?
The IUPAC name of (E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine (CID 25006024) is (E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine.
What is the SMILES notation for (E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine?
The canonical SMILES for (E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine is C[C@@H](NC/C=C/C#Cc1ccccc1F)c1cccc2ccccc12.
What is the InChIKey of (E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine?
The InChIKey is OUCZCMRRDPYVEF-ZHLNUILUSA-N. The full InChI is InChI=1S/C23H20FN/c1-18(21-15-9-13-19-10-4-6-14-22(19)21)25-17-8-2-3-11-20-12-5-7-16-23(20)24/h2,4-10,12-16,18,25H,17H2,1H3/b8-2+/t18-/m1/s1.
What are the key properties of (E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine?
(E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine has a molecular weight of 329.42 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine is sourced from PubChem (CID 25006024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).