4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine

C13H21FN2O2 — CID 55216085

IUPAC4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine
SMILESCOCC(C)Nc1cc(OC(C)C)c(F)cc1N
InChIInChI=1S/C13H21FN2O2/c1-8(2)18-13-6-12(11(15)5-10(13)14)16-9(3)7-17-4/h5-6,8-9,16H,7,15H2,1-4H3
InChIKeyINRKOSHEXKJUDX-UHFFFAOYSA-N
MW256.32 g/mol
LogP2.64
Rot. Bonds6

About 4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine

4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine (PubChem CID 55216085) has the molecular formula C13H21FN2O2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine
PubChem CID55216085
Molecular FormulaC13H21FN2O2
Molecular Weight256.32 g/mol
Exact Mass256.16
IUPAC Name4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine
SMILESCOCC(C)Nc1cc(OC(C)C)c(F)cc1N
InChIInChI=1S/C13H21FN2O2/c1-8(2)18-13-6-12(11(15)5-10(13)14)16-9(3)7-17-4/h5-6,8-9,16H,7,15H2,1-4H3
InChIKeyINRKOSHEXKJUDX-UHFFFAOYSA-N
XLogP2.64
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 52.64
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-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
CID 107258627
4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592733
4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine
CID 63926092
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide
CID 106343903
5-amino-2-fluoro-4-(1-methoxypropan-2-ylamino)benzoic acid
CID 113394224
1-N-[2-(dimethylamino)propyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 55217444
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide
CID 63594207
4-fluoro-5-propan-2-yloxy-1-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 63592232
6-N-(1-methoxypropan-2-yl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 43115374
4-fluoro-1-N-[(4-fluorophenyl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 63594336
1-N-benzyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63591848
4-fluoro-5-methoxy-1-N-(4-methylsulfanylbutan-2-yl)benzene-1,2-diamine
CID 113476979

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine (CID 55216085) is 4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine is COCC(C)Nc1cc(OC(C)C)c(F)cc1N.
What is the InChIKey of 4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine?
The InChIKey is INRKOSHEXKJUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2/c1-8(2)18-13-6-12(11(15)5-10(13)14)16-9(3)7-17-4/h5-6,8-9,16H,7,15H2,1-4H3.
What are the key properties of 4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine?
4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine has a molecular weight of 256.32 g/mol, XLogP of 2.64, 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-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine is sourced from PubChem (CID 55216085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).