1-(2,4-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine

C12H17Cl2NO — CID 79197770

IUPAC1-(2,4-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine
SMILESCOC(C)(C)C(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-12(2,16-3)11(15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11H,6,15H2,1-3H3
InChIKeyJPMFMDAXKFBKAG-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.29
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine

1-(2,4-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine (PubChem CID 79197770) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine
PubChem CID79197770
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name1-(2,4-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine
SMILESCOC(C)(C)C(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-12(2,16-3)11(15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11H,6,15H2,1-3H3
InChIKeyJPMFMDAXKFBKAG-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

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Related Compounds

1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine
CID 62395202
1-(2,4-dichlorophenyl)-3,3-dimethylpentan-2-amine
CID 115840191
1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine
CID 79197311
1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine
CID 116760652
1-(2,4-dichlorophenyl)-3-ethoxy-3-methylbutan-2-ol
CID 116713564
[1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245389
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
1-[2-(bromomethyl)-3,3-dimethylbutyl]-2,4-dichlorobenzene
CID 83142051
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414213
[1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 106868583
(2S)-2-[(2,4-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 67497383
methyl 2-[(2,4-dichlorophenyl)methyl]-3-oxobutanoate
CID 138755721

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine (CID 79197770) is 1-(2,4-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine is COC(C)(C)C(N)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine?
The InChIKey is JPMFMDAXKFBKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-12(2,16-3)11(15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11H,6,15H2,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine?
1-(2,4-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-(2,4-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 79197770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).