N-ethyl-2-(4-fluorophenoxy)propan-1-amine

C11H16FNO — CID 62454128

IUPACN-ethyl-2-(4-fluorophenoxy)propan-1-amine
SMILESCCNCC(C)Oc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-3-13-8-9(2)14-11-6-4-10(12)5-7-11/h4-7,9,13H,3,8H2,1-2H3
InChIKeyKQIXIHIRBRGXOO-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.20
Rot. Bonds5

About N-ethyl-2-(4-fluorophenoxy)propan-1-amine

N-ethyl-2-(4-fluorophenoxy)propan-1-amine (PubChem CID 62454128) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenoxy)propan-1-amine
PubChem CID62454128
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC NameN-ethyl-2-(4-fluorophenoxy)propan-1-amine
SMILESCCNCC(C)Oc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-3-13-8-9(2)14-11-6-4-10(12)5-7-11/h4-7,9,13H,3,8H2,1-2H3
InChIKeyKQIXIHIRBRGXOO-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenoxy)propyl]pentan-1-amine
CID 62570899
N-ethyl-2-(4-fluorophenoxy)pentan-1-amine
CID 83046488
2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine
CID 62485370
2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine
CID 62486029
N-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide
CID 71994274
N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119804487
2-(ethylamino)-4-(4-fluorophenoxy)-2-methylpentan-1-ol
CID 64803932
2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine
CID 54798619
2-(4-fluorophenoxy)-N-propylpentan-1-amine
CID 83045947
1-(4-fluorophenoxy)ethanamine
CID 68874100
3-(4-fluorophenoxy)butane-1-sulfonic acid
CID 54260380
2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453543

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenoxy)propan-1-amine?
The IUPAC name of N-ethyl-2-(4-fluorophenoxy)propan-1-amine (CID 62454128) is N-ethyl-2-(4-fluorophenoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenoxy)propan-1-amine?
The canonical SMILES for N-ethyl-2-(4-fluorophenoxy)propan-1-amine is CCNCC(C)Oc1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-(4-fluorophenoxy)propan-1-amine?
The InChIKey is KQIXIHIRBRGXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-13-8-9(2)14-11-6-4-10(12)5-7-11/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of N-ethyl-2-(4-fluorophenoxy)propan-1-amine?
N-ethyl-2-(4-fluorophenoxy)propan-1-amine has a molecular weight of 197.25 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenoxy)propan-1-amine is sourced from PubChem (CID 62454128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).