4-[(2-fluoro-4-pyridinyl)amino]-3,3-dimethylbutan-1-ol

C11H17FN2O — CID 106149289

IUPAC4-[(2-fluoro-4-pyridinyl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNc1ccnc(F)c1
InChIInChI=1S/C11H17FN2O/c1-11(2,4-6-15)8-14-9-3-5-13-10(12)7-9/h3,5,7,15H,4,6,8H2,1-2H3,(H,13,14)
InChIKeyYQQFXDNNDDKWRF-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.04
Rot. Bonds5

About 4-[(2-fluoro-4-pyridinyl)amino]-3,3-dimethylbutan-1-ol

4-[(2-fluoro-4-pyridinyl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 106149289) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-[(2-fluoro-4-pyridinyl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(2-fluoro-4-pyridinyl)amino]-3,3-dimethylbutan-1-ol
PubChem CID106149289
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name4-[(2-fluoro-4-pyridinyl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNc1ccnc(F)c1
InChIInChI=1S/C11H17FN2O/c1-11(2,4-6-15)8-14-9-3-5-13-10(12)7-9/h3,5,7,15H,4,6,8H2,1-2H3,(H,13,14)
InChIKeyYQQFXDNNDDKWRF-UHFFFAOYSA-N
XLogP2.04
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzoic acid
CID 114150322
2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine
CID 106142118
4-(4-amino-3-methylanilino)-3,3-dimethylbutan-1-ol
CID 106140683
2-ethyl-2-[(2-fluoro-4-pyridinyl)amino]propane-1,3-diol
CID 107866452
2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid
CID 106148732
2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-4-carboxamide
CID 115870175
4-[(4-amino-2,2-dimethylbutyl)amino]-N-ethylpyridine-2-carboxamide
CID 106142444
3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106149831
4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol
CID 103896007
N-[(4-ethylphenyl)methyl]-2-fluoropyridin-4-amine
CID 106900550
4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol
CID 106196676
N-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine
CID 106197172

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-pyridinyl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(2-fluoro-4-pyridinyl)amino]-3,3-dimethylbutan-1-ol (CID 106149289) is 4-[(2-fluoro-4-pyridinyl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(2-fluoro-4-pyridinyl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(2-fluoro-4-pyridinyl)amino]-3,3-dimethylbutan-1-ol is CC(C)(CCO)CNc1ccnc(F)c1.
What is the InChIKey of 4-[(2-fluoro-4-pyridinyl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is YQQFXDNNDDKWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-11(2,4-6-15)8-14-9-3-5-13-10(12)7-9/h3,5,7,15H,4,6,8H2,1-2H3,(H,13,14).
What are the key properties of 4-[(2-fluoro-4-pyridinyl)amino]-3,3-dimethylbutan-1-ol?
4-[(2-fluoro-4-pyridinyl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 212.27 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4-pyridinyl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106149289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).