(E)-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine

C20H18FN — CID 21162633

IUPAC(E)-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
SMILESFc1ccc(/C=C/CNCc2cccc3ccccc23)cc1
InChIInChI=1S/C20H18FN/c21-19-12-10-16(11-13-19)5-4-14-22-15-18-8-3-7-17-6-1-2-9-20(17)18/h1-13,22H,14-15H2/b5-4+
InChIKeyMKFXEUPCDVKSJX-SNAWJCMRSA-N
MW291.37 g/mol
LogP4.78
Rot. Bonds5

About (E)-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine

(E)-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine (PubChem CID 21162633) has the molecular formula C20H18FN and a molecular weight of 291.37 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
PubChem CID21162633
Molecular FormulaC20H18FN
Molecular Weight291.37 g/mol
Exact Mass291.14
IUPAC Name(E)-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
SMILESFc1ccc(/C=C/CNCc2cccc3ccccc23)cc1
InChIInChI=1S/C20H18FN/c21-19-12-10-16(11-13-19)5-4-14-22-15-18-8-3-7-17-6-1-2-9-20(17)18/h1-13,22H,14-15H2/b5-4+
InChIKeyMKFXEUPCDVKSJX-SNAWJCMRSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine (CID 21162633) is (E)-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine is Fc1ccc(/C=C/CNCc2cccc3ccccc23)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine?
The InChIKey is MKFXEUPCDVKSJX-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H18FN/c21-19-12-10-16(11-13-19)5-4-14-22-15-18-8-3-7-17-6-1-2-9-20(17)18/h1-13,22H,14-15H2/b5-4+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine?
(E)-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine has a molecular weight of 291.37 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 21162633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).