2-ethoxy-N-[(6-fluoro-2-pyridinyl)methyl]-3-methylpentan-1-amine

C14H23FN2O — CID 122661420

IUPAC2-ethoxy-N-[(6-fluoro-2-pyridinyl)methyl]-3-methylpentan-1-amine
SMILESCCOC(CNCc1cccc(F)n1)C(C)CC
InChIInChI=1S/C14H23FN2O/c1-4-11(3)13(18-5-2)10-16-9-12-7-6-8-14(15)17-12/h6-8,11,13,16H,4-5,9-10H2,1-3H3
InChIKeyBRLKCBYDPVCNJX-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.76
Rot. Bonds8

About 2-ethoxy-N-[(6-fluoro-2-pyridinyl)methyl]-3-methylpentan-1-amine

2-ethoxy-N-[(6-fluoro-2-pyridinyl)methyl]-3-methylpentan-1-amine (PubChem CID 122661420) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-ethoxy-N-[(6-fluoro-2-pyridinyl)methyl]-3-methylpentan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-[(6-fluoro-2-pyridinyl)methyl]-3-methylpentan-1-amine
PubChem CID122661420
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-ethoxy-N-[(6-fluoro-2-pyridinyl)methyl]-3-methylpentan-1-amine
SMILESCCOC(CNCc1cccc(F)n1)C(C)CC
InChIInChI=1S/C14H23FN2O/c1-4-11(3)13(18-5-2)10-16-9-12-7-6-8-14(15)17-12/h6-8,11,13,16H,4-5,9-10H2,1-3H3
InChIKeyBRLKCBYDPVCNJX-UHFFFAOYSA-N
XLogP2.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(6-fluoro-2-pyridinyl)methyl]-3-methylpentan-1-amine?
The IUPAC name of 2-ethoxy-N-[(6-fluoro-2-pyridinyl)methyl]-3-methylpentan-1-amine (CID 122661420) is 2-ethoxy-N-[(6-fluoro-2-pyridinyl)methyl]-3-methylpentan-1-amine.
What is the SMILES notation for 2-ethoxy-N-[(6-fluoro-2-pyridinyl)methyl]-3-methylpentan-1-amine?
The canonical SMILES for 2-ethoxy-N-[(6-fluoro-2-pyridinyl)methyl]-3-methylpentan-1-amine is CCOC(CNCc1cccc(F)n1)C(C)CC.
What is the InChIKey of 2-ethoxy-N-[(6-fluoro-2-pyridinyl)methyl]-3-methylpentan-1-amine?
The InChIKey is BRLKCBYDPVCNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-4-11(3)13(18-5-2)10-16-9-12-7-6-8-14(15)17-12/h6-8,11,13,16H,4-5,9-10H2,1-3H3.
What are the key properties of 2-ethoxy-N-[(6-fluoro-2-pyridinyl)methyl]-3-methylpentan-1-amine?
2-ethoxy-N-[(6-fluoro-2-pyridinyl)methyl]-3-methylpentan-1-amine has a molecular weight of 254.35 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(6-fluoro-2-pyridinyl)methyl]-3-methylpentan-1-amine is sourced from PubChem (CID 122661420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).