2-fluoro-6-methyl-N-(oxolan-3-ylmethyl)aniline

C12H16FNO — CID 104843513

IUPAC2-fluoro-6-methyl-N-(oxolan-3-ylmethyl)aniline
SMILESCc1cccc(F)c1NCC1CCOC1
InChIInChI=1S/C12H16FNO/c1-9-3-2-4-11(13)12(9)14-7-10-5-6-15-8-10/h2-4,10,14H,5-8H2,1H3
InChIKeyDPUDDFGCLHRXEA-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.58
Rot. Bonds3

About 2-fluoro-6-methyl-N-(oxolan-3-ylmethyl)aniline

2-fluoro-6-methyl-N-(oxolan-3-ylmethyl)aniline (PubChem CID 104843513) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-fluoro-6-methyl-N-(oxolan-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-6-methyl-N-(oxolan-3-ylmethyl)aniline
PubChem CID104843513
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-fluoro-6-methyl-N-(oxolan-3-ylmethyl)aniline
SMILESCc1cccc(F)c1NCC1CCOC1
InChIInChI=1S/C12H16FNO/c1-9-3-2-4-11(13)12(9)14-7-10-5-6-15-8-10/h2-4,10,14H,5-8H2,1H3
InChIKeyDPUDDFGCLHRXEA-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-N-(oxan-4-ylmethyl)aniline
CID 62387138
2-bromo-6-fluoro-N-(oxan-4-ylmethyl)aniline
CID 104626192
2-chloro-6-methyl-N-(oxan-4-ylmethyl)aniline
CID 66253970
2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62823821
3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide
CID 62824048
2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline
CID 43189804
2,5-difluoro-N-(oxolan-3-ylmethyl)aniline
CID 43192592
2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol
CID 112606580
3-fluoro-4-methylsulfanyl-N-(oxolan-3-ylmethyl)aniline
CID 115887991
2,6-dichloro-N-(oxan-3-ylmethyl)aniline
CID 65469527
2-methyl-3-(oxolan-3-ylmethylamino)benzenesulfonamide
CID 54867006
3-iodo-4-methyl-N-(oxolan-3-ylmethyl)aniline
CID 43716317

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-N-(oxolan-3-ylmethyl)aniline?
The IUPAC name of 2-fluoro-6-methyl-N-(oxolan-3-ylmethyl)aniline (CID 104843513) is 2-fluoro-6-methyl-N-(oxolan-3-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-6-methyl-N-(oxolan-3-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-6-methyl-N-(oxolan-3-ylmethyl)aniline is Cc1cccc(F)c1NCC1CCOC1.
What is the InChIKey of 2-fluoro-6-methyl-N-(oxolan-3-ylmethyl)aniline?
The InChIKey is DPUDDFGCLHRXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9-3-2-4-11(13)12(9)14-7-10-5-6-15-8-10/h2-4,10,14H,5-8H2,1H3.
What are the key properties of 2-fluoro-6-methyl-N-(oxolan-3-ylmethyl)aniline?
2-fluoro-6-methyl-N-(oxolan-3-ylmethyl)aniline has a molecular weight of 209.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-N-(oxolan-3-ylmethyl)aniline is sourced from PubChem (CID 104843513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).