2-[fluoro(oxan-3-yl)methyl]-3-methylbutan-1-amine

C11H22FNO — CID 107443679

IUPAC2-[fluoro(oxan-3-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)C1CCCOC1
InChIInChI=1S/C11H22FNO/c1-8(2)10(6-13)11(12)9-4-3-5-14-7-9/h8-11H,3-7,13H2,1-2H3
InChIKeyAONQJQITJXMPKJ-UHFFFAOYSA-N
MW203.30 g/mol
LogP1.98
Rot. Bonds4

About 2-[fluoro(oxan-3-yl)methyl]-3-methylbutan-1-amine

2-[fluoro(oxan-3-yl)methyl]-3-methylbutan-1-amine (PubChem CID 107443679) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 2-[fluoro(oxan-3-yl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[fluoro(oxan-3-yl)methyl]-3-methylbutan-1-amine
PubChem CID107443679
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name2-[fluoro(oxan-3-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)C1CCCOC1
InChIInChI=1S/C11H22FNO/c1-8(2)10(6-13)11(12)9-4-3-5-14-7-9/h8-11H,3-7,13H2,1-2H3
InChIKeyAONQJQITJXMPKJ-UHFFFAOYSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-Dimethyloxan-4-yl)-2-fluoroethanamine
CID 124157739
3-(2,2-Dimethyloxan-4-yl)-4-methylpentan-1-amine
CID 3741343
2-(2-ethyl-4-isopropyl-2-methyltetrahydro-2H-pyran-4-yl)ethanamine
CID 4371711
2-[6-Oxaspiro[4.5]decan-9-yl] ethylamine
CID 79920888
2-[2-Isopropyl-4-(3-methylbutyl)tetrahydropyran-4-yl]-ethylamine
CID 129768638
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 62505704
5,5,5-Trifluoro-1-(oxan-4-yl)pentan-2-amine
CID 79953746
[2-[3-(2,2,2-Trifluoroethoxy)propyl]cycloheptyl]methanamine
CID 81010406
[2-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 81011019
[4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 81011186
[4-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 81011808
[4-Propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 81012779

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(oxan-3-yl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[fluoro(oxan-3-yl)methyl]-3-methylbutan-1-amine (CID 107443679) is 2-[fluoro(oxan-3-yl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[fluoro(oxan-3-yl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[fluoro(oxan-3-yl)methyl]-3-methylbutan-1-amine is CC(C)C(CN)C(F)C1CCCOC1.
What is the InChIKey of 2-[fluoro(oxan-3-yl)methyl]-3-methylbutan-1-amine?
The InChIKey is AONQJQITJXMPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-8(2)10(6-13)11(12)9-4-3-5-14-7-9/h8-11H,3-7,13H2,1-2H3.
What are the key properties of 2-[fluoro(oxan-3-yl)methyl]-3-methylbutan-1-amine?
2-[fluoro(oxan-3-yl)methyl]-3-methylbutan-1-amine has a molecular weight of 203.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(oxan-3-yl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 107443679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).