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

C13H19ClFNO — CID 102857757

IUPAC1-(3-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1cccc(Cl)c1F)C(C)(C)OC
InChIInChI=1S/C13H19ClFNO/c1-13(2,17-4)11(16-3)8-9-6-5-7-10(14)12(9)15/h5-7,11,16H,8H2,1-4H3
InChIKeyBFOQNFQWUFFWSJ-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.03
Rot. Bonds5

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

1-(3-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine (PubChem CID 102857757) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
PubChem CID102857757
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1cccc(Cl)c1F)C(C)(C)OC
InChIInChI=1S/C13H19ClFNO/c1-13(2,17-4)11(16-3)8-9-6-5-7-10(14)12(9)15/h5-7,11,16H,8H2,1-4H3
InChIKeyBFOQNFQWUFFWSJ-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 102857759
1-(2-chloro-4-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 79197437
1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 103048890
1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 82805474
1-(3-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 102867916
[1-(2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245348
[1-(3-chloro-2-fluorophenyl)-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105264393
3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 66467241
1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
CID 82805467
1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 102857527
3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 82534938

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine (CID 102857757) is 1-(3-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine is CNC(Cc1cccc(Cl)c1F)C(C)(C)OC.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine?
The InChIKey is BFOQNFQWUFFWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO/c1-13(2,17-4)11(16-3)8-9-6-5-7-10(14)12(9)15/h5-7,11,16H,8H2,1-4H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine?
1-(3-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine has a molecular weight of 259.75 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 102857757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).