3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine

C12H18FNO — CID 64855623

IUPAC3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)COc1cc(C)ccc1F
InChIInChI=1S/C12H18FNO/c1-9-4-5-11(13)12(6-9)15-8-10(2)7-14-3/h4-6,10,14H,7-8H2,1-3H3
InChIKeyYUOSMJDCCKZFSE-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.37
Rot. Bonds5

About 3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine

3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine (PubChem CID 64855623) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
PubChem CID64855623
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)COc1cc(C)ccc1F
InChIInChI=1S/C12H18FNO/c1-9-4-5-11(13)12(6-9)15-8-10(2)7-14-3/h4-6,10,14H,7-8H2,1-3H3
InChIKeyYUOSMJDCCKZFSE-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-fluorophenoxy)-N,2-dimethylpropan-1-amine
CID 114674436
3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 62672408
1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene
CID 134558934
1-(2-fluoro-5-methylphenoxy)butan-2-ol
CID 64854416
1-fluoro-4-methyl-2-(4-methylpentoxy)benzene
CID 83168254
1-fluoro-4-methyl-2-(3-methylbutoxy)benzene
CID 64854132
2-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 64854475
2-(2-bromo-3,3,3-trifluoropropoxy)-1-fluoro-4-methylbenzene
CID 64855013
3-(5-bromo-2-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 107285213
2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol
CID 64856319
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine
CID 102747245
ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene
CID 145227334

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine (CID 64855623) is 3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine is CNCC(C)COc1cc(C)ccc1F.
What is the InChIKey of 3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine?
The InChIKey is YUOSMJDCCKZFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9-4-5-11(13)12(6-9)15-8-10(2)7-14-3/h4-6,10,14H,7-8H2,1-3H3.
What are the key properties of 3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine?
3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 64855623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).