1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine

C15H25FN2O — CID 63592910

IUPAC1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
SMILESCCCCN(CC)c1cc(OC(C)C)c(F)cc1N
InChIInChI=1S/C15H25FN2O/c1-5-7-8-18(6-2)14-10-15(19-11(3)4)12(16)9-13(14)17/h9-11H,5-8,17H2,1-4H3
InChIKeyUFZNVGCCXHSVPT-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.82
Rot. Bonds7

About 1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine

1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine (PubChem CID 63592910) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
PubChem CID63592910
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
SMILESCCCCN(CC)c1cc(OC(C)C)c(F)cc1N
InChIInChI=1S/C15H25FN2O/c1-5-7-8-18(6-2)14-10-15(19-11(3)4)12(16)9-13(14)17/h9-11H,5-8,17H2,1-4H3
InChIKeyUFZNVGCCXHSVPT-UHFFFAOYSA-N
XLogP3.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
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-(2-amino-N-butyl-4-fluoro-5-propan-2-yloxyanilino)acetamide
CID 63592607
1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63954095
4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592378
2-(2-amino-N-butyl-4-fluoro-5-propoxyanilino)ethanol
CID 63592250
2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide
CID 55216070
1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592276
2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide
CID 63592937
1-N-[2-(dimethylamino)propyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 55217444
2-N-(cyclopropylmethyl)-4-(difluoromethoxy)-5-fluoro-2-N-propylbenzene-1,2-diamine
CID 63593831
1-N-benzyl-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592554
1-N-cyclopropyl-4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592082
2-N-butyl-4-chloro-2-N-ethylbenzene-1,2-diamine
CID 115468453

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
The IUPAC name of 1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine (CID 63592910) is 1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
The canonical SMILES for 1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine is CCCCN(CC)c1cc(OC(C)C)c(F)cc1N.
What is the InChIKey of 1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
The InChIKey is UFZNVGCCXHSVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-5-7-8-18(6-2)14-10-15(19-11(3)4)12(16)9-13(14)17/h9-11H,5-8,17H2,1-4H3.
What are the key properties of 1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine has a molecular weight of 268.38 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine is sourced from PubChem (CID 63592910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).