4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine

C15H25FN2O — CID 63592455

IUPAC4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine
SMILESCCCOc1cc(NC(CC)CCC)c(N)cc1F
InChIInChI=1S/C15H25FN2O/c1-4-7-11(6-3)18-14-10-15(19-8-5-2)12(16)9-13(14)17/h9-11,18H,4-8,17H2,1-3H3
InChIKeyBKTLFUKXUNCORA-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.19
Rot. Bonds8

About 4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine

4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine (PubChem CID 63592455) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine
PubChem CID63592455
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine
SMILESCCCOc1cc(NC(CC)CCC)c(N)cc1F
InChIInChI=1S/C15H25FN2O/c1-4-7-11(6-3)18-14-10-15(19-8-5-2)12(16)9-13(14)17/h9-11,18H,4-8,17H2,1-3H3
InChIKeyBKTLFUKXUNCORA-UHFFFAOYSA-N
XLogP4.19
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine
CID 63592175
1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine
CID 63592624
4-fluoro-1-N-[1-(5-methylfuran-2-yl)ethyl]-5-propoxybenzene-1,2-diamine
CID 63593378
5-chloro-N-hexan-3-yl-2-propoxyaniline
CID 114079555
2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide
CID 103106731
4-fluoro-1-N-(1-methoxypentan-2-yl)-5-methylbenzene-1,2-diamine
CID 103590454
5-fluoro-2-pentan-2-yloxy-4-propoxyaniline
CID 102980387
2-(2-amino-4-fluoro-5-propoxyanilino)-2-ethylpropane-1,3-diol
CID 107864615
4-fluoro-1-N-(4-methylpiperazin-1-yl)-5-propoxybenzene-1,2-diamine
CID 83005171
3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide
CID 106166701
5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline
CID 63591961
1-N-(3-bromo-2-methylphenyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 107633706

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine (CID 63592455) is 4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine is CCCOc1cc(NC(CC)CCC)c(N)cc1F.
What is the InChIKey of 4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine?
The InChIKey is BKTLFUKXUNCORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-4-7-11(6-3)18-14-10-15(19-8-5-2)12(16)9-13(14)17/h9-11,18H,4-8,17H2,1-3H3.
What are the key properties of 4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine?
4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine has a molecular weight of 268.38 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine is sourced from PubChem (CID 63592455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).