1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine

C16H28FN3O — CID 63592624

IUPAC1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine
SMILESCCCOc1cc(NC(C)CN(CC)CC)c(N)cc1F
InChIInChI=1S/C16H28FN3O/c1-5-8-21-16-10-15(14(18)9-13(16)17)19-12(4)11-20(6-2)7-3/h9-10,12,19H,5-8,11,18H2,1-4H3
InChIKeySBLUGBJSYOABEE-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.34
Rot. Bonds9

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

1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine (PubChem CID 63592624) has the molecular formula C16H28FN3O and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine
PubChem CID63592624
Molecular FormulaC16H28FN3O
Molecular Weight297.42 g/mol
Exact Mass297.22
IUPAC Name1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine
SMILESCCCOc1cc(NC(C)CN(CC)CC)c(N)cc1F
InChIInChI=1S/C16H28FN3O/c1-5-8-21-16-10-15(14(18)9-13(16)17)19-12(4)11-20(6-2)7-3/h9-10,12,19H,5-8,11,18H2,1-4H3
InChIKeySBLUGBJSYOABEE-UHFFFAOYSA-N
XLogP3.34
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.34
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

2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide
CID 103106731
4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine
CID 63592455
4-fluoro-1-N-[1-(5-methylfuran-2-yl)ethyl]-5-propoxybenzene-1,2-diamine
CID 63593378
4-fluoro-1-N-(2-methylpropyl)-1-N-propan-2-yl-5-propoxybenzene-1,2-diamine
CID 63591731
5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline
CID 63591961
4-chloro-2-N-[1-(diethylamino)propan-2-yl]benzene-1,2-diamine
CID 113315727
5-fluoro-2-propan-2-yloxy-4-propoxyaniline
CID 63593869
4-ethoxy-5-fluoro-2-N-(1-phenylpropan-2-yl)benzene-1,2-diamine
CID 63593773
4-fluoro-1-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-5-propoxybenzene-1,2-diamine
CID 80684848
5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline
CID 63593547
4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine
CID 55216085
2-(2-amino-4-fluoro-5-propoxyanilino)-2-ethylpropane-1,3-diol
CID 107864615

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine?
The IUPAC name of 1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine (CID 63592624) is 1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine?
The canonical SMILES for 1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine is CCCOc1cc(NC(C)CN(CC)CC)c(N)cc1F.
What is the InChIKey of 1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine?
The InChIKey is SBLUGBJSYOABEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FN3O/c1-5-8-21-16-10-15(14(18)9-13(16)17)19-12(4)11-20(6-2)7-3/h9-10,12,19H,5-8,11,18H2,1-4H3.
What are the key properties of 1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine?
1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine has a molecular weight of 297.42 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine is sourced from PubChem (CID 63592624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).