2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine

C11H17FN2O2 — CID 107258627

IUPAC2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
SMILESCOCC(C)Nc1cc(OC)c(N)cc1F
InChIInChI=1S/C11H17FN2O2/c1-7(6-15-2)14-10-5-11(16-3)9(13)4-8(10)12/h4-5,7,14H,6,13H2,1-3H3
InChIKeyCANZDSDFXHGBQK-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.86
Rot. Bonds5

About 2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine

2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine (PubChem CID 107258627) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
PubChem CID107258627
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
SMILESCOCC(C)Nc1cc(OC)c(N)cc1F
InChIInChI=1S/C11H17FN2O2/c1-7(6-15-2)14-10-5-11(16-3)9(13)4-8(10)12/h4-5,7,14H,6,13H2,1-3H3
InChIKeyCANZDSDFXHGBQK-UHFFFAOYSA-N
XLogP1.86
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.86
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-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine
CID 55216085
4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 55086474
2-(4-amino-2-fluoro-5-methoxyanilino)-N-ethylpropanamide
CID 107258957
4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol
CID 107259327
1-N-tert-butyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258668
5-amino-2-fluoro-4-(1-methoxypropan-2-ylamino)benzoic acid
CID 113394224
4-fluoro-5-methoxy-1-N-(4-methylsulfanylbutan-2-yl)benzene-1,2-diamine
CID 113476979
1-(4-amino-2-fluoro-5-methoxyanilino)-2,4-dimethylpentan-2-ol
CID 107259384
2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine
CID 106290037
2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine
CID 107643379
1-N-[(2,2-dimethylcyclopropyl)methyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 114107445
2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline
CID 55144774

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine?
The IUPAC name of 2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine (CID 107258627) is 2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine is COCC(C)Nc1cc(OC)c(N)cc1F.
What is the InChIKey of 2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine?
The InChIKey is CANZDSDFXHGBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-7(6-15-2)14-10-5-11(16-3)9(13)4-8(10)12/h4-5,7,14H,6,13H2,1-3H3.
What are the key properties of 2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine?
2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine has a molecular weight of 228.27 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 107258627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).