N-ethoxy-1-(3-fluorophenyl)propan-1-amine

C11H16FNO — CID 114871757

IUPACN-ethoxy-1-(3-fluorophenyl)propan-1-amine
SMILESCCONC(CC)c1cccc(F)c1
InChIInChI=1S/C11H16FNO/c1-3-11(13-14-4-2)9-6-5-7-10(12)8-9/h5-8,11,13H,3-4H2,1-2H3
InChIKeyLOPCBDFVRFDXDZ-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.82
Rot. Bonds5

About N-ethoxy-1-(3-fluorophenyl)propan-1-amine

N-ethoxy-1-(3-fluorophenyl)propan-1-amine (PubChem CID 114871757) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is N-ethoxy-1-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethoxy-1-(3-fluorophenyl)propan-1-amine
PubChem CID114871757
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC NameN-ethoxy-1-(3-fluorophenyl)propan-1-amine
SMILESCCONC(CC)c1cccc(F)c1
InChIInChI=1S/C11H16FNO/c1-3-11(13-14-4-2)9-6-5-7-10(12)8-9/h5-8,11,13H,3-4H2,1-2H3
InChIKeyLOPCBDFVRFDXDZ-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
2-[1-(3-fluorophenyl)propyl]-1,1-dimethylhydrazine
CID 114871774
4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline
CID 114870959
N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine
CID 114871834
2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline
CID 114871410
4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871801
N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871425
4-bromo-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871024
N-[1-(3-fluorophenyl)propyl]-3-methylaniline
CID 114870935
3-[1-(3-fluorophenyl)propylamino]pentan-1-ol
CID 114871859
1-fluoro-3-(2-methylpentan-3-yl)benzene
CID 20795498
4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline
CID 114871894

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(3-fluorophenyl)propan-1-amine?
The IUPAC name of N-ethoxy-1-(3-fluorophenyl)propan-1-amine (CID 114871757) is N-ethoxy-1-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-ethoxy-1-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for N-ethoxy-1-(3-fluorophenyl)propan-1-amine is CCONC(CC)c1cccc(F)c1.
What is the InChIKey of N-ethoxy-1-(3-fluorophenyl)propan-1-amine?
The InChIKey is LOPCBDFVRFDXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-11(13-14-4-2)9-6-5-7-10(12)8-9/h5-8,11,13H,3-4H2,1-2H3.
What are the key properties of N-ethoxy-1-(3-fluorophenyl)propan-1-amine?
N-ethoxy-1-(3-fluorophenyl)propan-1-amine has a molecular weight of 197.25 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 114871757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).