4-(4-aminophenyl)-2-fluoro-5-propoxyaniline

C15H17FN2O — CID 175129917

IUPAC4-(4-aminophenyl)-2-fluoro-5-propoxyaniline
SMILESCCCOc1cc(N)c(F)cc1-c1ccc(N)cc1
InChIInChI=1S/C15H17FN2O/c1-2-7-19-15-9-14(18)13(16)8-12(15)10-3-5-11(17)6-4-10/h3-6,8-9H,2,7,17-18H2,1H3
InChIKeyHKZOQWTVVGQYCR-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.45
Rot. Bonds4

About 4-(4-aminophenyl)-2-fluoro-5-propoxyaniline

4-(4-aminophenyl)-2-fluoro-5-propoxyaniline (PubChem CID 175129917) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2-fluoro-5-propoxyaniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-2-fluoro-5-propoxyaniline
PubChem CID175129917
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name4-(4-aminophenyl)-2-fluoro-5-propoxyaniline
SMILESCCCOc1cc(N)c(F)cc1-c1ccc(N)cc1
InChIInChI=1S/C15H17FN2O/c1-2-7-19-15-9-14(18)13(16)8-12(15)10-3-5-11(17)6-4-10/h3-6,8-9H,2,7,17-18H2,1H3
InChIKeyHKZOQWTVVGQYCR-UHFFFAOYSA-N
XLogP3.45
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.45
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

4-bromo-2-fluoro-5-propoxyaniline
CID 13281431
4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline
CID 143655981
4-(3,4-dipropoxyphenyl)aniline
CID 61026286
4-propoxybenzene-1,3-diamine
CID 69462115
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
4-butoxy-5-fluorobenzene-1,2-diamine
CID 170437526
4-(4-aminophenyl)-2,5-bis(3-aminopropoxy)benzoic acid
CID 102321393
1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 118191581
4-[4-(4-aminophenyl)-2,5-bis(2-methoxyethoxy)phenyl]aniline;1,4-dibromo-2,5-bis(2-methoxyethoxy)benzene
CID 159188403
2-(3-phenyl-4-propoxyphenyl)ethanamine
CID 170888303
2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene
CID 174492898
(2,5-difluoro-4-propoxyphenyl)methanol
CID 164890870

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2-fluoro-5-propoxyaniline?
The IUPAC name of 4-(4-aminophenyl)-2-fluoro-5-propoxyaniline (CID 175129917) is 4-(4-aminophenyl)-2-fluoro-5-propoxyaniline.
What is the SMILES notation for 4-(4-aminophenyl)-2-fluoro-5-propoxyaniline?
The canonical SMILES for 4-(4-aminophenyl)-2-fluoro-5-propoxyaniline is CCCOc1cc(N)c(F)cc1-c1ccc(N)cc1.
What is the InChIKey of 4-(4-aminophenyl)-2-fluoro-5-propoxyaniline?
The InChIKey is HKZOQWTVVGQYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-2-7-19-15-9-14(18)13(16)8-12(15)10-3-5-11(17)6-4-10/h3-6,8-9H,2,7,17-18H2,1H3.
What are the key properties of 4-(4-aminophenyl)-2-fluoro-5-propoxyaniline?
4-(4-aminophenyl)-2-fluoro-5-propoxyaniline has a molecular weight of 260.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2-fluoro-5-propoxyaniline is sourced from PubChem (CID 175129917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).