(R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine

C13H18FNO — CID 131552715

IUPAC(R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine
SMILESCc1c(F)cccc1[C@H](N)C1CCOCC1
InChIInChI=1S/C13H18FNO/c1-9-11(3-2-4-12(9)14)13(15)10-5-7-16-8-6-10/h2-4,10,13H,5-8,15H2,1H3/t13-/m1/s1
InChIKeyJAJKRIWAQUZWAJ-CYBMUJFWSA-N
MW223.29 g/mol
LogP2.56
Rot. Bonds2

About (R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine

(R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine (PubChem CID 131552715) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine
PubChem CID131552715
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine
SMILESCc1c(F)cccc1[C@H](N)C1CCOCC1
InChIInChI=1S/C13H18FNO/c1-9-11(3-2-4-12(9)14)13(15)10-5-7-16-8-6-10/h2-4,10,13H,5-8,15H2,1H3/t13-/m1/s1
InChIKeyJAJKRIWAQUZWAJ-CYBMUJFWSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (R)-(3-fluoro-2-methylphenyl)-(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

(R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine
CID 131424754
(2-fluorophenyl)-(oxan-4-yl)methanamine
CID 63934888
(S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241038
(3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 83824709
(S)-(2-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171242964
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131479406
(S)-(2-fluoro-5-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241011
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171249497
(R)-(2-fluoro-5-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247730
(R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine
CID 171248262
(2-tert-butylphenyl)-(oxan-4-yl)methanamine
CID 115856077
(S)-(4-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131258219

Frequently Asked Questions

What is the IUPAC name of (R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine?
The IUPAC name of (R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine (CID 131552715) is (R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine?
The canonical SMILES for (R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine is Cc1c(F)cccc1[C@H](N)C1CCOCC1.
What is the InChIKey of (R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine?
The InChIKey is JAJKRIWAQUZWAJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-11(3-2-4-12(9)14)13(15)10-5-7-16-8-6-10/h2-4,10,13H,5-8,15H2,1H3/t13-/m1/s1.
What are the key properties of (R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine?
(R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine has a molecular weight of 223.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 131552715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).