1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine

C12H17Cl2NO — CID 103024800

IUPAC1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CC(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-12(2,16-3)7-11(15)8-4-5-9(13)10(14)6-8/h4-6,11H,7,15H2,1-3H3
InChIKeyBQFHYSUZRUYKOZ-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.81
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine

1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine (PubChem CID 103024800) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine
PubChem CID103024800
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CC(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-12(2,16-3)7-11(15)8-4-5-9(13)10(14)6-8/h4-6,11H,7,15H2,1-3H3
InChIKeyBQFHYSUZRUYKOZ-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-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

4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide
CID 65297365
3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine
CID 103025801
N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147148
[1-(3,4-dichlorophenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026283
ethyl 5-amino-5-(3,4-dichlorophenyl)-3,3-dimethylpentanoate
CID 62932808
3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 103024842
1-(3,4-dichlorophenyl)-3-methylbutan-1-amine
CID 43344490
(1S)-1-(3,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131260292
methyl 3-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 44630877
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
(1S)-1-(3,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171220884
1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol
CID 116942155

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine (CID 103024800) is 1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine is COC(C)(C)CC(N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine?
The InChIKey is BQFHYSUZRUYKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-12(2,16-3)7-11(15)8-4-5-9(13)10(14)6-8/h4-6,11H,7,15H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine?
1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine has a molecular weight of 262.18 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103024800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).