3-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridin-2-amine

C11H17FN2O — CID 115684649

IUPAC3-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridin-2-amine
SMILESCC(C)COCCNc1ncccc1F
InChIInChI=1S/C11H17FN2O/c1-9(2)8-15-7-6-14-11-10(12)4-3-5-13-11/h3-5,9H,6-8H2,1-2H3,(H,13,14)
InChIKeyHLFCZNQBEQJDMG-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.31
Rot. Bonds6

About 3-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridin-2-amine

3-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridin-2-amine (PubChem CID 115684649) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridin-2-amine
PubChem CID115684649
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name3-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridin-2-amine
SMILESCC(C)COCCNc1ncccc1F
InChIInChI=1S/C11H17FN2O/c1-9(2)8-15-7-6-14-11-10(12)4-3-5-13-11/h3-5,9H,6-8H2,1-2H3,(H,13,14)
InChIKeyHLFCZNQBEQJDMG-UHFFFAOYSA-N
XLogP2.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine
CID 22457316
3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617514
N'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine
CID 107323423
3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropanenitrile
CID 131201275
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine
CID 106452331
3-fluoro-N-propan-2-ylpyridin-2-amine
CID 62733783
N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridin-2-amine
CID 103270021
[3-[2-(2-methylpropoxy)ethoxymethyl]-2-pyridinyl]hydrazine
CID 106449351
N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide
CID 62735284
2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
CID 115611278
3-[(3-fluoro-2-pyridinyl)amino]-N-methylpropanamide
CID 62732862
N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 115680860

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridin-2-amine?
The IUPAC name of 3-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridin-2-amine (CID 115684649) is 3-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridin-2-amine is CC(C)COCCNc1ncccc1F.
What is the InChIKey of 3-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridin-2-amine?
The InChIKey is HLFCZNQBEQJDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-9(2)8-15-7-6-14-11-10(12)4-3-5-13-11/h3-5,9H,6-8H2,1-2H3,(H,13,14).
What are the key properties of 3-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridin-2-amine?
3-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridin-2-amine has a molecular weight of 212.27 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridin-2-amine is sourced from PubChem (CID 115684649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).