4-fluoro-5-propan-2-yloxy-1-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine

C16H20FN3O — CID 63592232

IUPAC4-fluoro-5-propan-2-yloxy-1-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
SMILESCC(C)Oc1cc(NC(C)c2ccncc2)c(N)cc1F
InChIInChI=1S/C16H20FN3O/c1-10(2)21-16-9-15(14(18)8-13(16)17)20-11(3)12-4-6-19-7-5-12/h4-11,20H,18H2,1-3H3
InChIKeyMIOHVJQUFVPWTI-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.76
Rot. Bonds5

About 4-fluoro-5-propan-2-yloxy-1-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine

4-fluoro-5-propan-2-yloxy-1-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine (PubChem CID 63592232) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-fluoro-5-propan-2-yloxy-1-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-propan-2-yloxy-1-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
PubChem CID63592232
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name4-fluoro-5-propan-2-yloxy-1-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
SMILESCC(C)Oc1cc(NC(C)c2ccncc2)c(N)cc1F
InChIInChI=1S/C16H20FN3O/c1-10(2)21-16-9-15(14(18)8-13(16)17)20-11(3)12-4-6-19-7-5-12/h4-11,20H,18H2,1-3H3
InChIKeyMIOHVJQUFVPWTI-UHFFFAOYSA-N
XLogP3.76
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.76
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

4-(difluoromethoxy)-5-fluoro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 106217128
4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine
CID 55216085
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide
CID 106343903
4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592733
1-N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 43524031
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide
CID 63594207
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
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
2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline
CID 43192512
4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 103590140

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-propan-2-yloxy-1-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-propan-2-yloxy-1-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine (CID 63592232) is 4-fluoro-5-propan-2-yloxy-1-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-propan-2-yloxy-1-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-propan-2-yloxy-1-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine is CC(C)Oc1cc(NC(C)c2ccncc2)c(N)cc1F.
What is the InChIKey of 4-fluoro-5-propan-2-yloxy-1-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine?
The InChIKey is MIOHVJQUFVPWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-10(2)21-16-9-15(14(18)8-13(16)17)20-11(3)12-4-6-19-7-5-12/h4-11,20H,18H2,1-3H3.
What are the key properties of 4-fluoro-5-propan-2-yloxy-1-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine?
4-fluoro-5-propan-2-yloxy-1-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine has a molecular weight of 289.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-propan-2-yloxy-1-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine is sourced from PubChem (CID 63592232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).