1-(4-fluorophenyl)-N-propoxymethanamine

C10H14FNO — CID 141408435

IUPAC1-(4-fluorophenyl)-N-propoxymethanamine
SMILESCCCONCc1ccc(F)cc1
InChIInChI=1S/C10H14FNO/c1-2-7-13-12-8-9-3-5-10(11)6-4-9/h3-6,12H,2,7-8H2,1H3
InChIKeyIYKICKJIHSOPBP-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.26
Rot. Bonds5

About 1-(4-fluorophenyl)-N-propoxymethanamine

1-(4-fluorophenyl)-N-propoxymethanamine (PubChem CID 141408435) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-propoxymethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-propoxymethanamine
PubChem CID141408435
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name1-(4-fluorophenyl)-N-propoxymethanamine
SMILESCCCONCc1ccc(F)cc1
InChIInChI=1S/C10H14FNO/c1-2-7-13-12-8-9-3-5-10(11)6-4-9/h3-6,12H,2,7-8H2,1H3
InChIKeyIYKICKJIHSOPBP-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-N-propoxymethanamine with MolForge

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

Launch Full Analysis

Related Compounds

4-Fluorobenzylamine
CID 67326
2-Fluorobenzylamine
CID 66649
3-Fluorobenzylamine
CID 66853
1-(4-Fluorophenyl)ethylamine
CID 123063
3-Fluoro-4-methylbenzylamine
CID 2774597
(S)-1-(4-Fluorophenyl)-ethylamine
CID 2779063
(1R)-(+)-1-(4-Fluorophenyl)ethylamine
CID 6950187
4-Fluorobenzylammonium
CID 448749
Methoxyphenylethylamine
CID 121190
Benzylhydroxylamine
CID 2794173
Hydroxylamine, O-methyl-N-phenethyl-, hydrochloride
CID 121189
(1R)-1-(2-Fluorophenyl)ethylamine
CID 2782361

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-propoxymethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-propoxymethanamine (CID 141408435) is 1-(4-fluorophenyl)-N-propoxymethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-propoxymethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-propoxymethanamine is CCCONCc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-propoxymethanamine?
The InChIKey is IYKICKJIHSOPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-2-7-13-12-8-9-3-5-10(11)6-4-9/h3-6,12H,2,7-8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-propoxymethanamine?
1-(4-fluorophenyl)-N-propoxymethanamine has a molecular weight of 183.23 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-propoxymethanamine is sourced from PubChem (CID 141408435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).