1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine

C14H22FNO2 — CID 116757780

IUPAC1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCCC(C)(OC)C(NC)c1cccc(OC)c1F
InChIInChI=1S/C14H22FNO2/c1-6-14(2,18-5)13(16-3)10-8-7-9-11(17-4)12(10)15/h7-9,13,16H,6H2,1-5H3
InChIKeyZDIFGAZLKPMNNB-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.91
Rot. Bonds6

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

1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine (PubChem CID 116757780) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
PubChem CID116757780
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCCC(C)(OC)C(NC)c1cccc(OC)c1F
InChIInChI=1S/C14H22FNO2/c1-6-14(2,18-5)13(16-3)10-8-7-9-11(17-4)12(10)15/h7-9,13,16H,6H2,1-5H3
InChIKeyZDIFGAZLKPMNNB-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,2-dimethylbutan-1-amine
CID 116758925
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol
CID 116751948
2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine
CID 116757756
1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757755
1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 82808246
1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine
CID 82793255
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757600
2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine
CID 105024920
1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 167713058
1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 116810817
1-(2-fluoro-3-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 105025107

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine (CID 116757780) is 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine is CCC(C)(OC)C(NC)c1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine?
The InChIKey is ZDIFGAZLKPMNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-6-14(2,18-5)13(16-3)10-8-7-9-11(17-4)12(10)15/h7-9,13,16H,6H2,1-5H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine?
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine has a molecular weight of 255.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 116757780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).