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

C12H18FNO — CID 64854500

IUPAC2-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)Oc1cc(C)ccc1F
InChIInChI=1S/C12H18FNO/c1-9-5-6-10(13)11(7-9)15-12(2,3)8-14-4/h5-7,14H,8H2,1-4H3
InChIKeyHBPVOSQMWZSIPF-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.51
Rot. Bonds4

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

2-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine (PubChem CID 64854500) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
PubChem CID64854500
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)Oc1cc(C)ccc1F
InChIInChI=1S/C12H18FNO/c1-9-5-6-10(13)11(7-9)15-12(2,3)8-14-4/h5-7,14H,8H2,1-4H3
InChIKeyHBPVOSQMWZSIPF-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2-fluoro-5-methylphenoxy)-2-methylpropan-1-amine
CID 64854498
2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 55063375
2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine
CID 83698847
2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine
CID 62352480
3-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)propanenitrile
CID 64853489
3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 64855623
ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene
CID 145227334
2-(2-chlorophenoxy)-N,2-dimethylpropan-1-amine
CID 62354816
2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine
CID 63488678
N-[[1-(2-fluoro-5-methylphenoxy)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 114199554
N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 103674230
1-[2-[(2-fluoro-5-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 64853909

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine (CID 64854500) is 2-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine is CNCC(C)(C)Oc1cc(C)ccc1F.
What is the InChIKey of 2-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine?
The InChIKey is HBPVOSQMWZSIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9-5-6-10(13)11(7-9)15-12(2,3)8-14-4/h5-7,14H,8H2,1-4H3.
What are the key properties of 2-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine?
2-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 64854500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).