3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol

C11H17FN2O — CID 106171523

IUPAC3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1ccc(F)cn1
InChIInChI=1S/C11H17FN2O/c1-3-11(2,6-7-15)14-10-5-4-9(12)8-13-10/h4-5,8,15H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyWHHMYUUJBHWTLI-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.18
Rot. Bonds5

About 3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol

3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol (PubChem CID 106171523) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol
PubChem CID106171523
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1ccc(F)cn1
InChIInChI=1S/C11H17FN2O/c1-3-11(2,6-7-15)14-10-5-4-9(12)8-13-10/h4-5,8,15H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyWHHMYUUJBHWTLI-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-[(5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 113258140
3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106178744
2-[(5-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 64556637
3-[(6-aminopyridazin-3-yl)amino]-3-methylpentan-1-ol
CID 106174456
2-[(5-fluoropyrimidin-2-yl)amino]-2-methylbutan-1-ol
CID 115750244
3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 106171147
4-[(5-fluoro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 130561119
3-N-(5-bromo-2-pyridinyl)-3-methylpentane-1,3-diamine
CID 106165583
6-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazine-3-carbonitrile
CID 133420472
N-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142088
3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106178733
3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol
CID 106171463

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol (CID 106171523) is 3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol is CCC(C)(CCO)Nc1ccc(F)cn1.
What is the InChIKey of 3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol?
The InChIKey is WHHMYUUJBHWTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-3-11(2,6-7-15)14-10-5-4-9(12)8-13-10/h4-5,8,15H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of 3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol?
3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol has a molecular weight of 212.27 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106171523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).