N-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine

C10H16FN3O — CID 106308279

IUPACN-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine
SMILESNCCOCCCNc1ccc(F)cn1
InChIInChI=1S/C10H16FN3O/c11-9-2-3-10(14-8-9)13-5-1-6-15-7-4-12/h2-3,8H,1,4-7,12H2,(H,13,14)
InChIKeyBEMQQFSAFCOFIQ-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.00
Rot. Bonds7

About N-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine

N-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine (PubChem CID 106308279) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine
PubChem CID106308279
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC NameN-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine
SMILESNCCOCCCNc1ccc(F)cn1
InChIInChI=1S/C10H16FN3O/c11-9-2-3-10(14-8-9)13-5-1-6-15-7-4-12/h2-3,8H,1,4-7,12H2,(H,13,14)
InChIKeyBEMQQFSAFCOFIQ-UHFFFAOYSA-N
XLogP1.00
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-2-amine
CID 63870709
5-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130504146
5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 63827023
2-(2-aminoethoxy)-N-(5-fluoro-2-pyridinyl)ethanesulfonamide
CID 112751598
N-[2-(2-aminoethoxy)ethyl]-5-methylpyridin-2-amine
CID 63767403
N-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine
CID 106308298
N-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106048487
5-fluoro-N-(7-methyloctyl)pyridin-2-amine
CID 107816143
N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine
CID 106308312
N-(cyclopropylmethyl)-5-fluoropyridin-2-amine
CID 61313730
N-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142088
N-[3-(2-aminoethoxy)propyl]-6-ethoxypyrazin-2-amine
CID 106308549

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine (CID 106308279) is N-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine is NCCOCCCNc1ccc(F)cn1.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine?
The InChIKey is BEMQQFSAFCOFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c11-9-2-3-10(14-8-9)13-5-1-6-15-7-4-12/h2-3,8H,1,4-7,12H2,(H,13,14).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine?
N-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine has a molecular weight of 213.26 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine is sourced from PubChem (CID 106308279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).