1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine

C12H17Cl2NO — CID 79197311

IUPAC1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine
SMILESCOC(C)(C)C(N)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-12(2,16-3)11(15)7-8-9(13)5-4-6-10(8)14/h4-6,11H,7,15H2,1-3H3
InChIKeySSYBLHNRYRTKKL-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.29
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine

1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine (PubChem CID 79197311) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine
PubChem CID79197311
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine
SMILESCOC(C)(C)C(N)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-12(2,16-3)11(15)7-8-9(13)5-4-6-10(8)14/h4-6,11H,7,15H2,1-3H3
InChIKeySSYBLHNRYRTKKL-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-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-(2,6-dichlorophenyl)-3-methyl-3-phenylbutan-2-amine
CID 63420080
1-(2,4-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine
CID 79197770
1-tert-butylsulfanyl-3-(2,6-dichlorophenyl)propan-2-amine
CID 65133097
3-(azepan-1-yl)-1-(2,6-dichlorophenyl)-3-methylbutan-2-amine
CID 79050778
1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine
CID 79198468
3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine
CID 79197659
1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
CID 116725191
1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine
CID 61495975
dimethyl 2-[(2,6-dichlorophenyl)methyl]propanedioate
CID 103972399
2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 62606810
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818
3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine
CID 103759791

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine (CID 79197311) is 1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine is COC(C)(C)C(N)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine?
The InChIKey is SSYBLHNRYRTKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-12(2,16-3)11(15)7-8-9(13)5-4-6-10(8)14/h4-6,11H,7,15H2,1-3H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine?
1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine has a molecular weight of 262.18 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 79197311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).