5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline

C18H23FN2O — CID 82153898

IUPAC5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline
SMILESCCCOc1ccc(CCCNc2cccc(F)c2)cc1N
InChIInChI=1S/C18H23FN2O/c1-2-11-22-18-9-8-14(12-17(18)20)5-4-10-21-16-7-3-6-15(19)13-16/h3,6-9,12-13,21H,2,4-5,10-11,20H2,1H3
InChIKeySYSOAGYNERSOPQ-UHFFFAOYSA-N
MW302.39 g/mol
LogP4.24
Rot. Bonds8

About 5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline

5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline (PubChem CID 82153898) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is 5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline.

Molecular Properties

Compound Name5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline
PubChem CID82153898
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline
SMILESCCCOc1ccc(CCCNc2cccc(F)c2)cc1N
InChIInChI=1S/C18H23FN2O/c1-2-11-22-18-9-8-14(12-17(18)20)5-4-10-21-16-7-3-6-15(19)13-16/h3,6-9,12-13,21H,2,4-5,10-11,20H2,1H3
InChIKeySYSOAGYNERSOPQ-UHFFFAOYSA-N
XLogP4.24
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(4-ethoxyanilino)propyl]-2-propoxyaniline
CID 82153892
3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol
CID 82153937
5-[3-(3,4-difluoroanilino)propyl]-2-ethoxyaniline
CID 94760419
N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,6-difluoroaniline
CID 94760420
N-[3-(3-amino-4-propoxyphenyl)propyl]-1H-1,2,4-triazol-5-amine
CID 82153914
3-[3-(3-amino-4-methoxyphenyl)propylamino]phenol
CID 82153989
5-[2-(ethylamino)ethyl]-2-propoxyaniline
CID 82257618
5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline
CID 94759793
5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
CID 82257627
5-[3-(4-tert-butylanilino)propyl]-2-ethoxyaniline
CID 82153944
5-[3-(4-butylanilino)propyl]-2-methoxyaniline
CID 94760436
5-[3-(3-methoxyanilino)propyl]-2-propan-2-yloxyaniline
CID 94760428

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline?
The IUPAC name of 5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline (CID 82153898) is 5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline.
What is the SMILES notation for 5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline?
The canonical SMILES for 5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline is CCCOc1ccc(CCCNc2cccc(F)c2)cc1N.
What is the InChIKey of 5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline?
The InChIKey is SYSOAGYNERSOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O/c1-2-11-22-18-9-8-14(12-17(18)20)5-4-10-21-16-7-3-6-15(19)13-16/h3,6-9,12-13,21H,2,4-5,10-11,20H2,1H3.
What are the key properties of 5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline?
5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline has a molecular weight of 302.39 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline is sourced from PubChem (CID 82153898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).