(2-fluorophenyl)-(oxan-4-yl)methanamine

C12H16FNO — CID 63934888

IUPAC(2-fluorophenyl)-(oxan-4-yl)methanamine
SMILESNC(c1ccccc1F)C1CCOCC1
InChIInChI=1S/C12H16FNO/c13-11-4-2-1-3-10(11)12(14)9-5-7-15-8-6-9/h1-4,9,12H,5-8,14H2
InChIKeyDGANXADFCBHYRG-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.25
Rot. Bonds2

About (2-fluorophenyl)-(oxan-4-yl)methanamine

(2-fluorophenyl)-(oxan-4-yl)methanamine (PubChem CID 63934888) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (2-fluorophenyl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(2-fluorophenyl)-(oxan-4-yl)methanamine
PubChem CID63934888
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(2-fluorophenyl)-(oxan-4-yl)methanamine
SMILESNC(c1ccccc1F)C1CCOCC1
InChIInChI=1S/C12H16FNO/c13-11-4-2-1-3-10(11)12(14)9-5-7-15-8-6-9/h1-4,9,12H,5-8,14H2
InChIKeyDGANXADFCBHYRG-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

Analyze (2-fluorophenyl)-(oxan-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241038
(R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine
CID 131552715
(3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 83824709
(S)-(4-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131258219
4-[1-(2-fluorophenyl)ethyl]oxane
CID 90399491
(2-fluorophenyl)-(thian-4-yl)methanamine
CID 82391625
(R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine
CID 171248262
(S)-(2-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171242964
1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131675141
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131479406
(2-tert-butylphenyl)-(oxan-4-yl)methanamine
CID 115856077
(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 131274584

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(oxan-4-yl)methanamine?
The IUPAC name of (2-fluorophenyl)-(oxan-4-yl)methanamine (CID 63934888) is (2-fluorophenyl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (2-fluorophenyl)-(oxan-4-yl)methanamine?
The canonical SMILES for (2-fluorophenyl)-(oxan-4-yl)methanamine is NC(c1ccccc1F)C1CCOCC1.
What is the InChIKey of (2-fluorophenyl)-(oxan-4-yl)methanamine?
The InChIKey is DGANXADFCBHYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-4-2-1-3-10(11)12(14)9-5-7-15-8-6-9/h1-4,9,12H,5-8,14H2.
What are the key properties of (2-fluorophenyl)-(oxan-4-yl)methanamine?
(2-fluorophenyl)-(oxan-4-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 (2-fluorophenyl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 63934888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).