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

C15H25FN2O — CID 63592276

IUPAC1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)Oc1cc(N(C)CC(C)(C)C)c(N)cc1F
InChIInChI=1S/C15H25FN2O/c1-10(2)19-14-8-13(12(17)7-11(14)16)18(6)9-15(3,4)5/h7-8,10H,9,17H2,1-6H3
InChIKeyBPRKIRQRFYTVAU-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.68
Rot. Bonds4

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

1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine (PubChem CID 63592276) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine
PubChem CID63592276
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)Oc1cc(N(C)CC(C)(C)C)c(N)cc1F
InChIInChI=1S/C15H25FN2O/c1-10(2)19-14-8-13(12(17)7-11(14)16)18(6)9-15(3,4)5/h7-8,10H,9,17H2,1-6H3
InChIKeyBPRKIRQRFYTVAU-UHFFFAOYSA-N
XLogP3.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.68
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

4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592378
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
4-fluoro-1-N-methyl-5-propan-2-yloxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 63593111
3-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)-N-methylpropanamide
CID 106914131
2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine
CID 66102264
4-(difluoromethoxy)-5-fluoro-2-N-methyl-2-N-(3-methylbutyl)benzene-1,2-diamine
CID 63592425
1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63592910
1-N-[2-(dimethylamino)propyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 55217444
1-N-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592082
1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63954095
4-(difluoromethoxy)-5-fluoro-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 63592611

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine?
The IUPAC name of 1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine (CID 63592276) is 1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine?
The canonical SMILES for 1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine is CC(C)Oc1cc(N(C)CC(C)(C)C)c(N)cc1F.
What is the InChIKey of 1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine?
The InChIKey is BPRKIRQRFYTVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-10(2)19-14-8-13(12(17)7-11(14)16)18(6)9-15(3,4)5/h7-8,10H,9,17H2,1-6H3.
What are the key properties of 1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine?
1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine has a molecular weight of 268.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine is sourced from PubChem (CID 63592276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).