1-(2-fluorophenyl)-2-methoxy-N,2-dimethylpropan-1-amine

C12H18FNO — CID 79197204

IUPAC1-(2-fluorophenyl)-2-methoxy-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccccc1F)C(C)(C)OC
InChIInChI=1S/C12H18FNO/c1-12(2,15-4)11(14-3)9-7-5-6-8-10(9)13/h5-8,11,14H,1-4H3
InChIKeyUFWGDKYMQGUFKV-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.51
Rot. Bonds4

About 1-(2-fluorophenyl)-2-methoxy-N,2-dimethylpropan-1-amine

1-(2-fluorophenyl)-2-methoxy-N,2-dimethylpropan-1-amine (PubChem CID 79197204) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methoxy-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methoxy-N,2-dimethylpropan-1-amine
PubChem CID79197204
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-(2-fluorophenyl)-2-methoxy-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccccc1F)C(C)(C)OC
InChIInChI=1S/C12H18FNO/c1-12(2,15-4)11(14-3)9-7-5-6-8-10(9)13/h5-8,11,14H,1-4H3
InChIKeyUFWGDKYMQGUFKV-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

1-(2-fluorophenyl)-2-methoxy-2-methylpropan-1-ol
CID 79198458
2-methoxy-1-[2-(2-methoxyethoxy)phenyl]-N,2-dimethylpropan-1-amine
CID 104660418
4-(2-fluorophenyl)-3,3-dimethyl-4-(methylamino)butanoic acid
CID 116953572
1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 116724590
N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine
CID 116761268
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197559
2-methoxy-N,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102833225
1-(2,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79198023
1-(2-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 63892587
[2-methoxy-1-(2-methoxyphenyl)-2-methylpropyl]hydrazine
CID 105245221
2-methoxy-N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 79197895
methyl (3S)-3-anilino-3-(2-fluorophenyl)-2,2-dimethylpropanoate
CID 102255570

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methoxy-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-2-methoxy-N,2-dimethylpropan-1-amine (CID 79197204) is 1-(2-fluorophenyl)-2-methoxy-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methoxy-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-2-methoxy-N,2-dimethylpropan-1-amine is CNC(c1ccccc1F)C(C)(C)OC.
What is the InChIKey of 1-(2-fluorophenyl)-2-methoxy-N,2-dimethylpropan-1-amine?
The InChIKey is UFWGDKYMQGUFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-12(2,15-4)11(14-3)9-7-5-6-8-10(9)13/h5-8,11,14H,1-4H3.
What are the key properties of 1-(2-fluorophenyl)-2-methoxy-N,2-dimethylpropan-1-amine?
1-(2-fluorophenyl)-2-methoxy-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 1-(2-fluorophenyl)-2-methoxy-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 79197204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).