2-fluoro-N-methyl-3-(oxan-4-yl)propan-1-amine

C9H18FNO — CID 105436246

IUPAC2-fluoro-N-methyl-3-(oxan-4-yl)propan-1-amine
SMILESCNCC(F)CC1CCOCC1
InChIInChI=1S/C9H18FNO/c1-11-7-9(10)6-8-2-4-12-5-3-8/h8-9,11H,2-7H2,1H3
InChIKeyVPEJHACXEGHIKB-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.36
Rot. Bonds4

About 2-fluoro-N-methyl-3-(oxan-4-yl)propan-1-amine

2-fluoro-N-methyl-3-(oxan-4-yl)propan-1-amine (PubChem CID 105436246) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-fluoro-N-methyl-3-(oxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-N-methyl-3-(oxan-4-yl)propan-1-amine
PubChem CID105436246
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name2-fluoro-N-methyl-3-(oxan-4-yl)propan-1-amine
SMILESCNCC(F)CC1CCOCC1
InChIInChI=1S/C9H18FNO/c1-11-7-9(10)6-8-2-4-12-5-3-8/h8-9,11H,2-7H2,1H3
InChIKeyVPEJHACXEGHIKB-UHFFFAOYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-3-(oxan-4-yl)propan-1-amine?
The IUPAC name of 2-fluoro-N-methyl-3-(oxan-4-yl)propan-1-amine (CID 105436246) is 2-fluoro-N-methyl-3-(oxan-4-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-N-methyl-3-(oxan-4-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-N-methyl-3-(oxan-4-yl)propan-1-amine is CNCC(F)CC1CCOCC1.
What is the InChIKey of 2-fluoro-N-methyl-3-(oxan-4-yl)propan-1-amine?
The InChIKey is VPEJHACXEGHIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-11-7-9(10)6-8-2-4-12-5-3-8/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-fluoro-N-methyl-3-(oxan-4-yl)propan-1-amine?
2-fluoro-N-methyl-3-(oxan-4-yl)propan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-3-(oxan-4-yl)propan-1-amine is sourced from PubChem (CID 105436246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).