1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine

C11H16FNO — CID 79616557

IUPAC1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine
SMILESCOC(C)C(N)c1cc(F)ccc1C
InChIInChI=1S/C11H16FNO/c1-7-4-5-9(12)6-10(7)11(13)8(2)14-3/h4-6,8,11H,13H2,1-3H3
InChIKeyADBSRMADPGJDKE-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.17
Rot. Bonds3

About 1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine

1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine (PubChem CID 79616557) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine
PubChem CID79616557
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine
SMILESCOC(C)C(N)c1cc(F)ccc1C
InChIInChI=1S/C11H16FNO/c1-7-4-5-9(12)6-10(7)11(13)8(2)14-3/h4-6,8,11H,13H2,1-3H3
InChIKeyADBSRMADPGJDKE-UHFFFAOYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 60730207
1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724075
(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol
CID 171267952
(1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 130864158
2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 84659101
2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756
(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol
CID 171267944
1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine
CID 114348131
2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine
CID 112562567
(1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 103694276
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 62790723
(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171267945

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine (CID 79616557) is 1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine is COC(C)C(N)c1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine?
The InChIKey is ADBSRMADPGJDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-7-4-5-9(12)6-10(7)11(13)8(2)14-3/h4-6,8,11H,13H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine?
1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine has a molecular weight of 197.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-2-methoxypropan-1-amine is sourced from PubChem (CID 79616557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).