1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine

C13H20FNO — CID 116757755

IUPAC1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCCC(C)(OC)C(NC)c1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-5-13(2,16-4)12(15-3)10-7-6-8-11(14)9-10/h6-9,12,15H,5H2,1-4H3
InChIKeyZGRKBWRUVMOFDK-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.90
Rot. Bonds5

About 1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine

1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine (PubChem CID 116757755) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine
PubChem CID116757755
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCCC(C)(OC)C(NC)c1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-5-13(2,16-4)12(15-3)10-7-6-8-11(14)9-10/h6-9,12,15H,5H2,1-4H3
InChIKeyZGRKBWRUVMOFDK-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

1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine
CID 107289412
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757780
2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine
CID 116761475
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114731322
1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116758076
[2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]butyl]hydrazine
CID 105274524
2-[[(1S)-1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]acetonitrile
CID 97334665
2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine
CID 116757756
2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine
CID 116758965
1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757600
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460526

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine (CID 116757755) is 1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine is CCC(C)(OC)C(NC)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine?
The InChIKey is ZGRKBWRUVMOFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-5-13(2,16-4)12(15-3)10-7-6-8-11(14)9-10/h6-9,12,15H,5H2,1-4H3.
What are the key properties of 1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine?
1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-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 1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 116757755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).