5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline

C16H18FNO3 — CID 107259802

IUPAC5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline
SMILESCCCOc1ccccc1Oc1cc(OC)c(N)cc1F
InChIInChI=1S/C16H18FNO3/c1-3-8-20-13-6-4-5-7-14(13)21-15-10-16(19-2)12(18)9-11(15)17/h4-7,9-10H,3,8,18H2,1-2H3
InChIKeyUKBRUSGPVRRLHQ-UHFFFAOYSA-N
MW291.32 g/mol
LogP4.00
Rot. Bonds6

About 5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline

5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline (PubChem CID 107259802) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline.

Molecular Properties

Compound Name5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline
PubChem CID107259802
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline
SMILESCCCOc1ccccc1Oc1cc(OC)c(N)cc1F
InChIInChI=1S/C16H18FNO3/c1-3-8-20-13-6-4-5-7-14(13)21-15-10-16(19-2)12(18)9-11(15)17/h4-7,9-10H,3,8,18H2,1-2H3
InChIKeyUKBRUSGPVRRLHQ-UHFFFAOYSA-N
XLogP4.00
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline
CID 107259770
5-fluoro-2-(2-methylsulfanylphenoxy)-4-propoxyaniline
CID 63647609
2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide
CID 107259815
2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline
CID 114671713
5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline
CID 63591961
5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline
CID 103176795
2-(2-bromo-4-methylphenoxy)-5-fluoro-4-propoxyaniline
CID 63593727
4-(3,3-dimethylbutoxy)-5-fluoro-2-methoxyaniline
CID 107259923
5-fluoro-2-propan-2-yloxy-4-propoxyaniline
CID 63593869
[3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine
CID 63077707
5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline
CID 63599659
2-(4-amino-2-fluoro-5-methoxyphenoxy)-6-fluorobenzamide
CID 107259866

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline?
The IUPAC name of 5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline (CID 107259802) is 5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline.
What is the SMILES notation for 5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline?
The canonical SMILES for 5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline is CCCOc1ccccc1Oc1cc(OC)c(N)cc1F.
What is the InChIKey of 5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline?
The InChIKey is UKBRUSGPVRRLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-3-8-20-13-6-4-5-7-14(13)21-15-10-16(19-2)12(18)9-11(15)17/h4-7,9-10H,3,8,18H2,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline?
5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline has a molecular weight of 291.32 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline is sourced from PubChem (CID 107259802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).