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

C11H16FNO — CID 102986348

IUPAC2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine
SMILESCNCC(C)Oc1cc(F)ccc1C
InChIInChI=1S/C11H16FNO/c1-8-4-5-10(12)6-11(8)14-9(2)7-13-3/h4-6,9,13H,7H2,1-3H3
InChIKeyIGQREUKRXPRXKL-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.12
Rot. Bonds4

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

2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine (PubChem CID 102986348) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine
PubChem CID102986348
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine
SMILESCNCC(C)Oc1cc(F)ccc1C
InChIInChI=1S/C11H16FNO/c1-8-4-5-10(12)6-11(8)14-9(2)7-13-3/h4-6,9,13H,7H2,1-3H3
InChIKeyIGQREUKRXPRXKL-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol
CID 84746272
4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 102983463
(2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine
CID 102981073
ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 102983589
methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate
CID 103338283
2-(5-fluoro-2-methylphenoxy)pentan-3-ol
CID 102983322
N-ethyl-2-(5-fluoro-2-methylphenoxy)propanamide
CID 102990501
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 102986518
2-(3,4-difluorophenoxy)-N-methylpropan-1-amine
CID 62485369
3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 102990248
N-[2-(2,4-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62450002
N-[2-(2,5-difluorophenoxy)propyl]pentan-2-amine
CID 63272991

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine?
The IUPAC name of 2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine (CID 102986348) is 2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine?
The canonical SMILES for 2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine is CNCC(C)Oc1cc(F)ccc1C.
What is the InChIKey of 2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine?
The InChIKey is IGQREUKRXPRXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8-4-5-10(12)6-11(8)14-9(2)7-13-3/h4-6,9,13H,7H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine?
2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine has a molecular weight of 197.25 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 102986348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).