N-ethyl-2-(2-fluoro-5-methylphenoxy)-2-methylpropan-1-amine

C13H20FNO — CID 64854498

IUPACN-ethyl-2-(2-fluoro-5-methylphenoxy)-2-methylpropan-1-amine
SMILESCCNCC(C)(C)Oc1cc(C)ccc1F
InChIInChI=1S/C13H20FNO/c1-5-15-9-13(3,4)16-12-8-10(2)6-7-11(12)14/h6-8,15H,5,9H2,1-4H3
InChIKeyUHFYJAVGMQTDTL-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.90
Rot. Bonds5

About N-ethyl-2-(2-fluoro-5-methylphenoxy)-2-methylpropan-1-amine

N-ethyl-2-(2-fluoro-5-methylphenoxy)-2-methylpropan-1-amine (PubChem CID 64854498) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-ethyl-2-(2-fluoro-5-methylphenoxy)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluoro-5-methylphenoxy)-2-methylpropan-1-amine
PubChem CID64854498
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-ethyl-2-(2-fluoro-5-methylphenoxy)-2-methylpropan-1-amine
SMILESCCNCC(C)(C)Oc1cc(C)ccc1F
InChIInChI=1S/C13H20FNO/c1-5-15-9-13(3,4)16-12-8-10(2)6-7-11(12)14/h6-8,15H,5,9H2,1-4H3
InChIKeyUHFYJAVGMQTDTL-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 64854500
N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855008
2-(2,5-difluorophenoxy)-N-ethyl-2-methylbutan-1-amine
CID 63273363
N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine
CID 64855811
3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627041
N-[[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]methyl]ethanamine
CID 43282260
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine
CID 64856226
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine
CID 62594384
2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 55063375
N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382235

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluoro-5-methylphenoxy)-2-methylpropan-1-amine?
The IUPAC name of N-ethyl-2-(2-fluoro-5-methylphenoxy)-2-methylpropan-1-amine (CID 64854498) is N-ethyl-2-(2-fluoro-5-methylphenoxy)-2-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-fluoro-5-methylphenoxy)-2-methylpropan-1-amine?
The canonical SMILES for N-ethyl-2-(2-fluoro-5-methylphenoxy)-2-methylpropan-1-amine is CCNCC(C)(C)Oc1cc(C)ccc1F.
What is the InChIKey of N-ethyl-2-(2-fluoro-5-methylphenoxy)-2-methylpropan-1-amine?
The InChIKey is UHFYJAVGMQTDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-5-15-9-13(3,4)16-12-8-10(2)6-7-11(12)14/h6-8,15H,5,9H2,1-4H3.
What are the key properties of N-ethyl-2-(2-fluoro-5-methylphenoxy)-2-methylpropan-1-amine?
N-ethyl-2-(2-fluoro-5-methylphenoxy)-2-methylpropan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluoro-5-methylphenoxy)-2-methylpropan-1-amine is sourced from PubChem (CID 64854498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).