(2,6-difluoro-3-methylphenyl)-(oxolan-2-yl)methanamine

C12H15F2NO — CID 82822631

IUPAC(2,6-difluoro-3-methylphenyl)-(oxolan-2-yl)methanamine
SMILESCc1ccc(F)c(C(N)C2CCCO2)c1F
InChIInChI=1S/C12H15F2NO/c1-7-4-5-8(13)10(11(7)14)12(15)9-3-2-6-16-9/h4-5,9,12H,2-3,6,15H2,1H3
InChIKeyKETTZNHFYDCWMZ-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.45
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(oxolan-2-yl)methanamine

(2,6-difluoro-3-methylphenyl)-(oxolan-2-yl)methanamine (PubChem CID 82822631) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(oxolan-2-yl)methanamine
PubChem CID82822631
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name(2,6-difluoro-3-methylphenyl)-(oxolan-2-yl)methanamine
SMILESCc1ccc(F)c(C(N)C2CCCO2)c1F
InChIInChI=1S/C12H15F2NO/c1-7-4-5-8(13)10(11(7)14)12(15)9-3-2-6-16-9/h4-5,9,12H,2-3,6,15H2,1H3
InChIKeyKETTZNHFYDCWMZ-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,6-difluoro-3-methylphenyl)-(oxolan-2-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)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 55253707
(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 130707474
(2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanamine
CID 82822230
(1S,2R)-2-amino-1-cyclopentyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171264100
(2,6-difluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine
CID 55048187
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171269778
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine
CID 171209698
2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol
CID 131448433
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
3,4-difluoro-2-N-[1-(oxolan-2-yl)ethyl]benzene-1,2-diamine
CID 55086070
2-(3-bromo-2,6-difluorophenyl)-1-(oxolan-2-yl)ethanamine
CID 106267560

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(oxolan-2-yl)methanamine?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(oxolan-2-yl)methanamine (CID 82822631) is (2,6-difluoro-3-methylphenyl)-(oxolan-2-yl)methanamine.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(oxolan-2-yl)methanamine?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(oxolan-2-yl)methanamine is Cc1ccc(F)c(C(N)C2CCCO2)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(oxolan-2-yl)methanamine?
The InChIKey is KETTZNHFYDCWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-7-4-5-8(13)10(11(7)14)12(15)9-3-2-6-16-9/h4-5,9,12H,2-3,6,15H2,1H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(oxolan-2-yl)methanamine?
(2,6-difluoro-3-methylphenyl)-(oxolan-2-yl)methanamine has a molecular weight of 227.25 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(oxolan-2-yl)methanamine is sourced from PubChem (CID 82822631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).