4-fluoro-1-N-[1-(5-methylfuran-2-yl)ethyl]-5-propoxybenzene-1,2-diamine

C16H21FN2O2 — CID 63593378

IUPAC4-fluoro-1-N-[1-(5-methylfuran-2-yl)ethyl]-5-propoxybenzene-1,2-diamine
SMILESCCCOc1cc(NC(C)c2ccc(C)o2)c(N)cc1F
InChIInChI=1S/C16H21FN2O2/c1-4-7-20-16-9-14(13(18)8-12(16)17)19-11(3)15-6-5-10(2)21-15/h5-6,8-9,11,19H,4,7,18H2,1-3H3
InChIKeyGKXSPKQCSQKION-UHFFFAOYSA-N
MW292.35 g/mol
LogP4.27
Rot. Bonds6

About 4-fluoro-1-N-[1-(5-methylfuran-2-yl)ethyl]-5-propoxybenzene-1,2-diamine

4-fluoro-1-N-[1-(5-methylfuran-2-yl)ethyl]-5-propoxybenzene-1,2-diamine (PubChem CID 63593378) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-fluoro-1-N-[1-(5-methylfuran-2-yl)ethyl]-5-propoxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-[1-(5-methylfuran-2-yl)ethyl]-5-propoxybenzene-1,2-diamine
PubChem CID63593378
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name4-fluoro-1-N-[1-(5-methylfuran-2-yl)ethyl]-5-propoxybenzene-1,2-diamine
SMILESCCCOc1cc(NC(C)c2ccc(C)o2)c(N)cc1F
InChIInChI=1S/C16H21FN2O2/c1-4-7-20-16-9-14(13(18)8-12(16)17)19-11(3)15-6-5-10(2)21-15/h5-6,8-9,11,19H,4,7,18H2,1-3H3
InChIKeyGKXSPKQCSQKION-UHFFFAOYSA-N
XLogP4.27
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine
CID 63592455
1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine
CID 63592624
2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide
CID 103106731
5-fluoro-2-propan-2-yloxy-4-propoxyaniline
CID 63593869
5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline
CID 63593547
2-(2-amino-4-fluoro-5-propoxyanilino)-2-ethylpropane-1,3-diol
CID 107864615
5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline
CID 63591961
1-N-(2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 63592569
4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine
CID 63592209
1-N-(3-bromo-2-methylphenyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 107633706
5-fluoro-2-pentan-2-yloxy-4-propoxyaniline
CID 102980387
4-fluoro-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 54968451

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-[1-(5-methylfuran-2-yl)ethyl]-5-propoxybenzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-[1-(5-methylfuran-2-yl)ethyl]-5-propoxybenzene-1,2-diamine (CID 63593378) is 4-fluoro-1-N-[1-(5-methylfuran-2-yl)ethyl]-5-propoxybenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-[1-(5-methylfuran-2-yl)ethyl]-5-propoxybenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-[1-(5-methylfuran-2-yl)ethyl]-5-propoxybenzene-1,2-diamine is CCCOc1cc(NC(C)c2ccc(C)o2)c(N)cc1F.
What is the InChIKey of 4-fluoro-1-N-[1-(5-methylfuran-2-yl)ethyl]-5-propoxybenzene-1,2-diamine?
The InChIKey is GKXSPKQCSQKION-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-4-7-20-16-9-14(13(18)8-12(16)17)19-11(3)15-6-5-10(2)21-15/h5-6,8-9,11,19H,4,7,18H2,1-3H3.
What are the key properties of 4-fluoro-1-N-[1-(5-methylfuran-2-yl)ethyl]-5-propoxybenzene-1,2-diamine?
4-fluoro-1-N-[1-(5-methylfuran-2-yl)ethyl]-5-propoxybenzene-1,2-diamine has a molecular weight of 292.35 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-[1-(5-methylfuran-2-yl)ethyl]-5-propoxybenzene-1,2-diamine is sourced from PubChem (CID 63593378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).