N-[(4-fluorophenyl)methyl]-1-propoxyethenamine

C12H16FNO — CID 144589477

IUPACN-[(4-fluorophenyl)methyl]-1-propoxyethenamine
SMILESC=C(NCc1ccc(F)cc1)OCCC
InChIInChI=1S/C12H16FNO/c1-3-8-15-10(2)14-9-11-4-6-12(13)7-5-11/h4-7,14H,2-3,8-9H2,1H3
InChIKeyROTPLBYBAJJYEN-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.81
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-1-propoxyethenamine

N-[(4-fluorophenyl)methyl]-1-propoxyethenamine (PubChem CID 144589477) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-propoxyethenamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-propoxyethenamine
PubChem CID144589477
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-[(4-fluorophenyl)methyl]-1-propoxyethenamine
SMILESC=C(NCc1ccc(F)cc1)OCCC
InChIInChI=1S/C12H16FNO/c1-3-8-15-10(2)14-9-11-4-6-12(13)7-5-11/h4-7,14H,2-3,8-9H2,1H3
InChIKeyROTPLBYBAJJYEN-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N-[(4-fluorophenyl)methyl]-1-propoxyethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-propoxyethenamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-propoxyethenamine (CID 144589477) is N-[(4-fluorophenyl)methyl]-1-propoxyethenamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-propoxyethenamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-propoxyethenamine is C=C(NCc1ccc(F)cc1)OCCC.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-propoxyethenamine?
The InChIKey is ROTPLBYBAJJYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-3-8-15-10(2)14-9-11-4-6-12(13)7-5-11/h4-7,14H,2-3,8-9H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-propoxyethenamine?
N-[(4-fluorophenyl)methyl]-1-propoxyethenamine has a molecular weight of 209.26 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-propoxyethenamine is sourced from PubChem (CID 144589477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).