N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine

C12H16FNO — CID 75525403

IUPACN-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
SMILESCc1cc(F)cc(NC2CCOC2C)c1
InChIInChI=1S/C12H16FNO/c1-8-5-10(13)7-11(6-8)14-12-3-4-15-9(12)2/h5-7,9,12,14H,3-4H2,1-2H3
InChIKeySHACQHLMHFVYKO-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.72
Rot. Bonds2

About N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine

N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine (PubChem CID 75525403) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
PubChem CID75525403
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
SMILESCc1cc(F)cc(NC2CCOC2C)c1
InChIInChI=1S/C12H16FNO/c1-8-5-10(13)7-11(6-8)14-12-3-4-15-9(12)2/h5-7,9,12,14H,3-4H2,1-2H3
InChIKeySHACQHLMHFVYKO-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 2960152
CID 2960152
CID 2850171
CID 2850171
CID 2851638
CID 2851638
CID 2850833
CID 2850833
CID 75525398
CID 75525398
CID 43196526
CID 43196526
CID 43196526
CID 43196526
CID 2960153
CID 2960153
CID 2960153
CID 2960153
CID 93035407
CID 93035407
CID 119052587
CID 119052587
CID 1900507
CID 1900507

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine?
The IUPAC name of N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine (CID 75525403) is N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine is Cc1cc(F)cc(NC2CCOC2C)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine?
The InChIKey is SHACQHLMHFVYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-5-10(13)7-11(6-8)14-12-3-4-15-9(12)2/h5-7,9,12,14H,3-4H2,1-2H3.
What are the key properties of N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine?
N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine has a molecular weight of 209.26 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 75525403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).