(4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine

C12H16FNO — CID 79757879

IUPAC(4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
SMILESCC1OCCC1C(N)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-8-11(6-7-15-8)12(14)9-2-4-10(13)5-3-9/h2-5,8,11-12H,6-7,14H2,1H3
InChIKeyWJKIEGWHNIJSIC-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.25
Rot. Bonds2

About (4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine

(4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine (PubChem CID 79757879) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
PubChem CID79757879
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
SMILESCC1OCCC1C(N)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-8-11(6-7-15-8)12(14)9-2-4-10(13)5-3-9/h2-5,8,11-12H,6-7,14H2,1H3
InChIKeyWJKIEGWHNIJSIC-UHFFFAOYSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine
CID 79758244
(2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105397164
(3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine
CID 115797335
(2-methyloxolan-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115855316
5-[amino-(2-methyloxolan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 79759243
6-[amino-(2-methyloxolan-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79760009
(5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105011945
(R)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891776
(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891777
(2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 115801573
2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine
CID 115840656
3-[chloro-(3,4-difluorophenyl)methyl]-2-methyloxolane
CID 79762893

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of (4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine (CID 79757879) is (4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for (4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for (4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine is CC1OCCC1C(N)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine?
The InChIKey is WJKIEGWHNIJSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-11(6-7-15-8)12(14)9-2-4-10(13)5-3-9/h2-5,8,11-12H,6-7,14H2,1H3.
What are the key properties of (4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine?
(4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine has a molecular weight of 209.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 79757879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).