4-(3-fluoro-4-pyridinyl)oxepan-4-amine

C11H15FN2O — CID 104737796

IUPAC4-(3-fluoro-4-pyridinyl)oxepan-4-amine
SMILESNC1(c2ccncc2F)CCCOCC1
InChIInChI=1S/C11H15FN2O/c12-10-8-14-5-2-9(10)11(13)3-1-6-15-7-4-11/h2,5,8H,1,3-4,6-7,13H2
InChIKeyKMBYASDEUDVPJI-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.58
Rot. Bonds1

About 4-(3-fluoro-4-pyridinyl)oxepan-4-amine

4-(3-fluoro-4-pyridinyl)oxepan-4-amine (PubChem CID 104737796) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 4-(3-fluoro-4-pyridinyl)oxepan-4-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-pyridinyl)oxepan-4-amine
PubChem CID104737796
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name4-(3-fluoro-4-pyridinyl)oxepan-4-amine
SMILESNC1(c2ccncc2F)CCCOCC1
InChIInChI=1S/C11H15FN2O/c12-10-8-14-5-2-9(10)11(13)3-1-6-15-7-4-11/h2,5,8H,1,3-4,6-7,13H2
InChIKeyKMBYASDEUDVPJI-UHFFFAOYSA-N
XLogP1.58
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-isoquinolin-8-yloxepan-4-amine
CID 103143260
4-(2-fluoro-5-methylphenyl)oxepan-4-amine
CID 65077062
4-(4-fluoro-2-methylphenyl)oxepan-4-amine
CID 65077011
1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol
CID 104737486
1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine
CID 104737792
4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine
CID 82770544
7-pyrazin-2-yl-1,4-dioxonan-7-amine
CID 134570495
1-(3-chloro-4-pyridinyl)cyclopropan-1-amine
CID 55297970
1-furo[3,2-c]pyridin-3-ylcyclopentan-1-amine
CID 84776859
4-isoquinolin-4-yloxan-4-amine
CID 63939578
1-[4-(2-fluorophenyl)-3-pyridinyl]cyclopropan-1-amine
CID 129257642
3-amino-N-(3-fluoro-4-pyridinyl)oxolane-3-carboxamide
CID 107594990

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-pyridinyl)oxepan-4-amine?
The IUPAC name of 4-(3-fluoro-4-pyridinyl)oxepan-4-amine (CID 104737796) is 4-(3-fluoro-4-pyridinyl)oxepan-4-amine.
What is the SMILES notation for 4-(3-fluoro-4-pyridinyl)oxepan-4-amine?
The canonical SMILES for 4-(3-fluoro-4-pyridinyl)oxepan-4-amine is NC1(c2ccncc2F)CCCOCC1.
What is the InChIKey of 4-(3-fluoro-4-pyridinyl)oxepan-4-amine?
The InChIKey is KMBYASDEUDVPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-10-8-14-5-2-9(10)11(13)3-1-6-15-7-4-11/h2,5,8H,1,3-4,6-7,13H2.
What are the key properties of 4-(3-fluoro-4-pyridinyl)oxepan-4-amine?
4-(3-fluoro-4-pyridinyl)oxepan-4-amine has a molecular weight of 210.25 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-pyridinyl)oxepan-4-amine is sourced from PubChem (CID 104737796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).