3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine

C15H22F3NO2 — CID 102928614

IUPAC3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
SMILESCCCNC(CCOCCOC)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H22F3NO2/c1-3-7-19-13(6-8-21-10-9-20-2)11-4-5-12(16)15(18)14(11)17/h4-5,13,19H,3,6-10H2,1-2H3
InChIKeyZMHVHAFZZMLBMM-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.20
Rot. Bonds10

About 3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine

3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine (PubChem CID 102928614) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
PubChem CID102928614
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
SMILESCCCNC(CCOCCOC)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H22F3NO2/c1-3-7-19-13(6-8-21-10-9-20-2)11-4-5-12(16)15(18)14(11)17/h4-5,13,19H,3,6-10H2,1-2H3
InChIKeyZMHVHAFZZMLBMM-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-propyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 65092172
N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 79411869
1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928630
4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 55186996
4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 103031413
4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 115849735
3-(2,2-difluoroethoxy)-N-ethyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 103149624
1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine
CID 107513225
3-ethoxy-N-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 105146480
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 106646214
1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine
CID 62791896
1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928611

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine (CID 102928614) is 3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine is CCCNC(CCOCCOC)c1ccc(F)c(F)c1F.
What is the InChIKey of 3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine?
The InChIKey is ZMHVHAFZZMLBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-3-7-19-13(6-8-21-10-9-20-2)11-4-5-12(16)15(18)14(11)17/h4-5,13,19H,3,6-10H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine?
3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine has a molecular weight of 305.34 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine is sourced from PubChem (CID 102928614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).