5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline

C20H27FN2O — CID 82257704

IUPAC5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline
SMILESCCCOc1ccc(CC(C)NCCc2ccc(F)cc2)cc1N
InChIInChI=1S/C20H27FN2O/c1-3-12-24-20-9-6-17(14-19(20)22)13-15(2)23-11-10-16-4-7-18(21)8-5-16/h4-9,14-15,23H,3,10-13,22H2,1-2H3
InChIKeyBLAWTLNKXAHPMY-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.96
Rot. Bonds9

About 5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline

5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline (PubChem CID 82257704) has the molecular formula C20H27FN2O and a molecular weight of 330.45 g/mol. Its IUPAC name is 5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline.

Molecular Properties

Compound Name5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline
PubChem CID82257704
Molecular FormulaC20H27FN2O
Molecular Weight330.45 g/mol
Exact Mass330.21
IUPAC Name5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline
SMILESCCCOc1ccc(CC(C)NCCc2ccc(F)cc2)cc1N
InChIInChI=1S/C20H27FN2O/c1-3-12-24-20-9-6-17(14-19(20)22)13-15(2)23-11-10-16-4-7-18(21)8-5-16/h4-9,14-15,23H,3,10-13,22H2,1-2H3
InChIKeyBLAWTLNKXAHPMY-UHFFFAOYSA-N
XLogP3.96
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline
CID 82257616
5-[2-(ethylamino)ethyl]-2-propoxyaniline
CID 82257618
5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
CID 82257627
2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline
CID 82257458
2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29225866
2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline
CID 82257510
5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline
CID 82153898
5-[2-(benzylamino)propyl]-2-ethoxyaniline
CID 82257507
5-(2-piperazin-1-ylpropyl)-2-propoxyaniline
CID 82256278
5-[2-(furan-2-ylmethylamino)ethyl]-2-propoxyaniline
CID 82257617
5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline
CID 94759793
5-[2-(3-butoxypropylamino)ethyl]-2-propoxyaniline
CID 95408697

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline?
The IUPAC name of 5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline (CID 82257704) is 5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline.
What is the SMILES notation for 5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline?
The canonical SMILES for 5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline is CCCOc1ccc(CC(C)NCCc2ccc(F)cc2)cc1N.
What is the InChIKey of 5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline?
The InChIKey is BLAWTLNKXAHPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O/c1-3-12-24-20-9-6-17(14-19(20)22)13-15(2)23-11-10-16-4-7-18(21)8-5-16/h4-9,14-15,23H,3,10-13,22H2,1-2H3.
What are the key properties of 5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline?
5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline has a molecular weight of 330.45 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline is sourced from PubChem (CID 82257704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).