N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine

C14H22FNO — CID 171832104

IUPACN-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine
SMILESCCCN(CC)CCCOc1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-3-10-16(4-2)11-5-12-17-14-8-6-13(15)7-9-14/h6-9H,3-5,10-12H2,1-2H3
InChIKeyPQUDLXVZFOEMFU-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.33
Rot. Bonds8

About N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine

N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine (PubChem CID 171832104) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine
PubChem CID171832104
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine
SMILESCCCN(CC)CCCOc1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-3-10-16(4-2)11-5-12-17-14-8-6-13(15)7-9-14/h6-9H,3-5,10-12H2,1-2H3
InChIKeyPQUDLXVZFOEMFU-UHFFFAOYSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol
CID 78963624
3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine
CID 5262100
N-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106614892
4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide
CID 43290637
2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol
CID 60685925
3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol
CID 115666232
4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one
CID 43792937
3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine
CID 57439420
N-ethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 55074636
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide
CID 61363430

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine?
The IUPAC name of N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine (CID 171832104) is N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine is CCCN(CC)CCCOc1ccc(F)cc1.
What is the InChIKey of N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine?
The InChIKey is PQUDLXVZFOEMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-10-16(4-2)11-5-12-17-14-8-6-13(15)7-9-14/h6-9H,3-5,10-12H2,1-2H3.
What are the key properties of N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine?
N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine is sourced from PubChem (CID 171832104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).