1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine

C13H19ClFNO — CID 103048890

IUPAC1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1cc(Cl)ccc1F)C(C)(C)OC
InChIInChI=1S/C13H19ClFNO/c1-13(2,17-4)12(16-3)8-9-7-10(14)5-6-11(9)15/h5-7,12,16H,8H2,1-4H3
InChIKeySJKSPKDDEZMCKS-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.03
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine

1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine (PubChem CID 103048890) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
PubChem CID103048890
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1cc(Cl)ccc1F)C(C)(C)OC
InChIInChI=1S/C13H19ClFNO/c1-13(2,17-4)12(16-3)8-9-7-10(14)5-6-11(9)15/h5-7,12,16H,8H2,1-4H3
InChIKeySJKSPKDDEZMCKS-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

Analyze 1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245389
1-(2-chloro-4-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 79197437
1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 82922734
[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
[1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 103053845
[1-(2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245348
1-(5-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 103053634
1-(2,5-dichlorophenyl)sulfanyl-3-methoxy-N,3-dimethylbutan-2-amine
CID 114228886
1-(5-chloro-2-methoxyphenyl)-3-methoxy-N,3-dimethylpentan-2-amine
CID 116757609
2-(5-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 103048641
[1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 106868583

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine (CID 103048890) is 1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine is CNC(Cc1cc(Cl)ccc1F)C(C)(C)OC.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine?
The InChIKey is SJKSPKDDEZMCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO/c1-13(2,17-4)12(16-3)8-9-7-10(14)5-6-11(9)15/h5-7,12,16H,8H2,1-4H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine?
1-(5-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-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 103048890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).