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

C14H21FN2O — CID 63593496

IUPAC1-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)Oc1cc(NC2CC2(C)C)c(N)cc1F
InChIInChI=1S/C14H21FN2O/c1-8(2)18-12-6-11(10(16)5-9(12)15)17-13-7-14(13,3)4/h5-6,8,13,17H,7,16H2,1-4H3
InChIKeyWIZQFLDGOJOGGL-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.41
Rot. Bonds4

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

1-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine (PubChem CID 63593496) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
PubChem CID63593496
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)Oc1cc(NC2CC2(C)C)c(N)cc1F
InChIInChI=1S/C14H21FN2O/c1-8(2)18-12-6-11(10(16)5-9(12)15)17-13-7-14(13,3)4/h5-6,8,13,17H,7,16H2,1-4H3
InChIKeyWIZQFLDGOJOGGL-UHFFFAOYSA-N
XLogP3.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592733
1-N-(2,2-dimethylcyclohexyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 79861652
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide
CID 106343903
1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol
CID 65102598
4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine
CID 55216085
1-N-[2-(dimethylamino)propyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 55217444
5-amino-4-[(2,2-dimethylcyclopropyl)amino]-2-fluorobenzoic acid
CID 113394253
4-fluoro-1-N-[(E)-pent-3-enyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 113465312
1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593134
4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63593460
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide
CID 63594191
2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 55215701

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
The IUPAC name of 1-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine (CID 63593496) is 1-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
The canonical SMILES for 1-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine is CC(C)Oc1cc(NC2CC2(C)C)c(N)cc1F.
What is the InChIKey of 1-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
The InChIKey is WIZQFLDGOJOGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-8(2)18-12-6-11(10(16)5-9(12)15)17-13-7-14(13,3)4/h5-6,8,13,17H,7,16H2,1-4H3.
What are the key properties of 1-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
1-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine has a molecular weight of 252.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine is sourced from PubChem (CID 63593496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).