1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine

C13H19F2NO — CID 82922734

IUPAC1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1ccc(F)c(F)c1)C(C)(C)OC
InChIInChI=1S/C13H19F2NO/c1-13(2,17-4)12(16-3)8-9-5-6-10(14)11(15)7-9/h5-7,12,16H,8H2,1-4H3
InChIKeyRYZXMQOMXLRVJB-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.52
Rot. Bonds5

About 1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine

1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine (PubChem CID 82922734) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
PubChem CID82922734
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1ccc(F)c(F)c1)C(C)(C)OC
InChIInChI=1S/C13H19F2NO/c1-13(2,17-4)12(16-3)8-9-5-6-10(14)11(15)7-9/h5-7,12,16H,8H2,1-4H3
InChIKeyRYZXMQOMXLRVJB-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274512
[1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245358
1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 103048890
1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198045
1-(2-chloro-4-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 79197437
[3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine
CID 105245324
methyl 4-(3,4-difluorophenyl)-3-(methylamino)butanoate
CID 82351619
[1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245389
3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 82920845
1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine
CID 116760137
[1-(5-bromo-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245363
1-(3-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 102857757

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine (CID 82922734) is 1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine is CNC(Cc1ccc(F)c(F)c1)C(C)(C)OC.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine?
The InChIKey is RYZXMQOMXLRVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-13(2,17-4)12(16-3)8-9-5-6-10(14)11(15)7-9/h5-7,12,16H,8H2,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine?
1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine has a molecular weight of 243.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 82922734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).