1,4-dioxan-2-yl-(3-fluorophenyl)methanamine

C11H14FNO2 — CID 65351089

IUPAC1,4-dioxan-2-yl-(3-fluorophenyl)methanamine
SMILESNC(c1cccc(F)c1)C1COCCO1
InChIInChI=1S/C11H14FNO2/c12-9-3-1-2-8(6-9)11(13)10-7-14-4-5-15-10/h1-3,6,10-11H,4-5,7,13H2
InChIKeyBWTKCHATEGNXOK-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.24
Rot. Bonds2

About 1,4-dioxan-2-yl-(3-fluorophenyl)methanamine

1,4-dioxan-2-yl-(3-fluorophenyl)methanamine (PubChem CID 65351089) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(3-fluorophenyl)methanamine.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(3-fluorophenyl)methanamine
PubChem CID65351089
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name1,4-dioxan-2-yl-(3-fluorophenyl)methanamine
SMILESNC(c1cccc(F)c1)C1COCCO1
InChIInChI=1S/C11H14FNO2/c12-9-3-1-2-8(6-9)11(13)10-7-14-4-5-15-10/h1-3,6,10-11H,4-5,7,13H2
InChIKeyBWTKCHATEGNXOK-UHFFFAOYSA-N
XLogP1.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine
CID 105285493
1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine
CID 65352820
1,4-dioxan-2-yl-(3-propan-2-yloxyphenyl)methanamine
CID 115825275
(S)-(3-fluorophenyl)-(oxan-4-yl)methanamine
CID 95255362
1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol
CID 65351287
5-[amino(1,4-dioxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62797798
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
CID 65350986
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,4-dioxan-2-yl)methanamine
CID 62804713
(R)-cyclobutyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199154
1,4-dioxan-2-yl-(6-methyl-3-pyridinyl)methanamine
CID 65351256
(4-cyclohexylphenyl)-(1,4-dioxan-2-yl)methanamine
CID 62798687
(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199156

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(3-fluorophenyl)methanamine?
The IUPAC name of 1,4-dioxan-2-yl-(3-fluorophenyl)methanamine (CID 65351089) is 1,4-dioxan-2-yl-(3-fluorophenyl)methanamine.
What is the SMILES notation for 1,4-dioxan-2-yl-(3-fluorophenyl)methanamine?
The canonical SMILES for 1,4-dioxan-2-yl-(3-fluorophenyl)methanamine is NC(c1cccc(F)c1)C1COCCO1.
What is the InChIKey of 1,4-dioxan-2-yl-(3-fluorophenyl)methanamine?
The InChIKey is BWTKCHATEGNXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-9-3-1-2-8(6-9)11(13)10-7-14-4-5-15-10/h1-3,6,10-11H,4-5,7,13H2.
What are the key properties of 1,4-dioxan-2-yl-(3-fluorophenyl)methanamine?
1,4-dioxan-2-yl-(3-fluorophenyl)methanamine has a molecular weight of 211.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-(3-fluorophenyl)methanamine is sourced from PubChem (CID 65351089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).