N-[2-(2-ethoxy-3-fluorophenoxy)ethyl]-1-(4-propoxyphenyl)propan-2-amine

C22H30FNO3 — CID 22157047

IUPACN-[2-(2-ethoxy-3-fluorophenoxy)ethyl]-1-(4-propoxyphenyl)propan-2-amine
SMILESCCCOc1ccc(CC(C)NCCOc2cccc(F)c2OCC)cc1
InChIInChI=1S/C22H30FNO3/c1-4-14-26-19-11-9-18(10-12-19)16-17(3)24-13-15-27-21-8-6-7-20(23)22(21)25-5-2/h6-12,17,24H,4-5,13-16H2,1-3H3
InChIKeyQFAKIWJZPXZAFR-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.61
Rot. Bonds12

About N-[2-(2-ethoxy-3-fluorophenoxy)ethyl]-1-(4-propoxyphenyl)propan-2-amine

N-[2-(2-ethoxy-3-fluorophenoxy)ethyl]-1-(4-propoxyphenyl)propan-2-amine (PubChem CID 22157047) has the molecular formula C22H30FNO3 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[2-(2-ethoxy-3-fluorophenoxy)ethyl]-1-(4-propoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-ethoxy-3-fluorophenoxy)ethyl]-1-(4-propoxyphenyl)propan-2-amine
PubChem CID22157047
Molecular FormulaC22H30FNO3
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC NameN-[2-(2-ethoxy-3-fluorophenoxy)ethyl]-1-(4-propoxyphenyl)propan-2-amine
SMILESCCCOc1ccc(CC(C)NCCOc2cccc(F)c2OCC)cc1
InChIInChI=1S/C22H30FNO3/c1-4-14-26-19-11-9-18(10-12-19)16-17(3)24-13-15-27-21-8-6-7-20(23)22(21)25-5-2/h6-12,17,24H,4-5,13-16H2,1-3H3
InChIKeyQFAKIWJZPXZAFR-UHFFFAOYSA-N
XLogP4.61
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine
CID 114829611
1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine
CID 115495220
5-[2-[2-(3-fluoro-2-methoxyphenoxy)ethylamino]propyl]-2-methoxy-N-methylbenzenesulfonamide
CID 67896034
N-[2-(2-fluorophenoxy)ethyl]butan-2-amine
CID 2935869
N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine
CID 62997090
1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine
CID 114829606
1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 60659012
N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine
CID 115495127
N-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine
CID 21421947
N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine
CID 106450535
1-[4-[2-(2-methylpropoxy)ethoxy]phenyl]-N-propylpropan-2-amine
CID 106450542
1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine
CID 115495201

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxy-3-fluorophenoxy)ethyl]-1-(4-propoxyphenyl)propan-2-amine?
The IUPAC name of N-[2-(2-ethoxy-3-fluorophenoxy)ethyl]-1-(4-propoxyphenyl)propan-2-amine (CID 22157047) is N-[2-(2-ethoxy-3-fluorophenoxy)ethyl]-1-(4-propoxyphenyl)propan-2-amine.
What is the SMILES notation for N-[2-(2-ethoxy-3-fluorophenoxy)ethyl]-1-(4-propoxyphenyl)propan-2-amine?
The canonical SMILES for N-[2-(2-ethoxy-3-fluorophenoxy)ethyl]-1-(4-propoxyphenyl)propan-2-amine is CCCOc1ccc(CC(C)NCCOc2cccc(F)c2OCC)cc1.
What is the InChIKey of N-[2-(2-ethoxy-3-fluorophenoxy)ethyl]-1-(4-propoxyphenyl)propan-2-amine?
The InChIKey is QFAKIWJZPXZAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FNO3/c1-4-14-26-19-11-9-18(10-12-19)16-17(3)24-13-15-27-21-8-6-7-20(23)22(21)25-5-2/h6-12,17,24H,4-5,13-16H2,1-3H3.
What are the key properties of N-[2-(2-ethoxy-3-fluorophenoxy)ethyl]-1-(4-propoxyphenyl)propan-2-amine?
N-[2-(2-ethoxy-3-fluorophenoxy)ethyl]-1-(4-propoxyphenyl)propan-2-amine has a molecular weight of 375.48 g/mol, XLogP of 4.61, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxy-3-fluorophenoxy)ethyl]-1-(4-propoxyphenyl)propan-2-amine is sourced from PubChem (CID 22157047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).