1-N-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine

C16H25FN2O — CID 63592082

IUPAC1-N-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)CN(c1cc(OC(C)C)c(F)cc1N)C1CC1
InChIInChI=1S/C16H25FN2O/c1-10(2)9-19(12-5-6-12)15-8-16(20-11(3)4)13(17)7-14(15)18/h7-8,10-12H,5-6,9,18H2,1-4H3
InChIKeyKUWBAAPWLJYSJI-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.82
Rot. Bonds6

About 1-N-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine

1-N-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine (PubChem CID 63592082) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
PubChem CID63592082
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-N-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)CN(c1cc(OC(C)C)c(F)cc1N)C1CC1
InChIInChI=1S/C16H25FN2O/c1-10(2)9-19(12-5-6-12)15-8-16(20-11(3)4)13(17)7-14(15)18/h7-8,10-12H,5-6,9,18H2,1-4H3
InChIKeyKUWBAAPWLJYSJI-UHFFFAOYSA-N
XLogP3.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 63591908
2-N-cyclopropyl-4-ethoxy-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 63594476
1-N-cyclopropyl-2-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,4-diamine
CID 107259031
4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592378
1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63954095
2-N-cyclohexyl-4-(difluoromethoxy)-2-N-ethyl-5-fluorobenzene-1,2-diamine
CID 63594154
4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(3-methylbutyl)benzene-1,2-diamine
CID 116735733
1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592276
2-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol
CID 63593939
1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63592910
2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide
CID 63592937
1-N-benzyl-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592554

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine (CID 63592082) is 1-N-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine is CC(C)CN(c1cc(OC(C)C)c(F)cc1N)C1CC1.
What is the InChIKey of 1-N-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine?
The InChIKey is KUWBAAPWLJYSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-10(2)9-19(12-5-6-12)15-8-16(20-11(3)4)13(17)7-14(15)18/h7-8,10-12H,5-6,9,18H2,1-4H3.
What are the key properties of 1-N-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine?
1-N-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine has a molecular weight of 280.39 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine is sourced from PubChem (CID 63592082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).