(Z)-1-[2-[2-[[5-(2-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]phenyl]prop-1-en-2-amine

C23H24FN3O — CID 142103053

IUPAC(Z)-1-[2-[2-[[5-(2-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]phenyl]prop-1-en-2-amine
SMILESC/C(N)=C/c1ccccc1OCCNCc1cncc(-c2ccccc2F)c1
InChIInChI=1S/C23H24FN3O/c1-17(25)12-19-6-2-5-9-23(19)28-11-10-26-14-18-13-20(16-27-15-18)21-7-3-4-8-22(21)24/h2-9,12-13,15-16,26H,10-11,14,25H2,1H3/b17-12-
InChIKeyALZLMZVUVYJNNM-ATVHPVEESA-N
MW377.46 g/mol
LogP4.38
Rot. Bonds8

About (Z)-1-[2-[2-[[5-(2-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]phenyl]prop-1-en-2-amine

(Z)-1-[2-[2-[[5-(2-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]phenyl]prop-1-en-2-amine (PubChem CID 142103053) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is (Z)-1-[2-[2-[[5-(2-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]phenyl]prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[2-[2-[[5-(2-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]phenyl]prop-1-en-2-amine
PubChem CID142103053
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name(Z)-1-[2-[2-[[5-(2-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]phenyl]prop-1-en-2-amine
SMILESC/C(N)=C/c1ccccc1OCCNCc1cncc(-c2ccccc2F)c1
InChIInChI=1S/C23H24FN3O/c1-17(25)12-19-6-2-5-9-23(19)28-11-10-26-14-18-13-20(16-27-15-18)21-7-3-4-8-22(21)24/h2-9,12-13,15-16,26H,10-11,14,25H2,1H3/b17-12-
InChIKeyALZLMZVUVYJNNM-ATVHPVEESA-N
XLogP4.38
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (Z)-1-[2-[2-[[5-(2-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]phenyl]prop-1-en-2-amine?
The IUPAC name of (Z)-1-[2-[2-[[5-(2-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]phenyl]prop-1-en-2-amine (CID 142103053) is (Z)-1-[2-[2-[[5-(2-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]phenyl]prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-[2-[2-[[5-(2-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]phenyl]prop-1-en-2-amine?
The canonical SMILES for (Z)-1-[2-[2-[[5-(2-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]phenyl]prop-1-en-2-amine is C/C(N)=C/c1ccccc1OCCNCc1cncc(-c2ccccc2F)c1.
What is the InChIKey of (Z)-1-[2-[2-[[5-(2-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]phenyl]prop-1-en-2-amine?
The InChIKey is ALZLMZVUVYJNNM-ATVHPVEESA-N. The full InChI is InChI=1S/C23H24FN3O/c1-17(25)12-19-6-2-5-9-23(19)28-11-10-26-14-18-13-20(16-27-15-18)21-7-3-4-8-22(21)24/h2-9,12-13,15-16,26H,10-11,14,25H2,1H3/b17-12-.
What are the key properties of (Z)-1-[2-[2-[[5-(2-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]phenyl]prop-1-en-2-amine?
(Z)-1-[2-[2-[[5-(2-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]phenyl]prop-1-en-2-amine has a molecular weight of 377.46 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-[2-[[5-(2-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]phenyl]prop-1-en-2-amine is sourced from PubChem (CID 142103053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).