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

C11H15Cl2NO — CID 62622775

IUPAC1-(2,6-dichlorophenyl)-3-methoxy-2-methylpropan-2-amine
SMILESCOCC(C)(N)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-11(14,7-15-2)6-8-9(12)4-3-5-10(8)13/h3-5H,6-7,14H2,1-2H3
InChIKeyYYUPKVZVXUTWHT-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.90
Rot. Bonds4

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

1-(2,6-dichlorophenyl)-3-methoxy-2-methylpropan-2-amine (PubChem CID 62622775) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-methoxy-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-methoxy-2-methylpropan-2-amine
PubChem CID62622775
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name1-(2,6-dichlorophenyl)-3-methoxy-2-methylpropan-2-amine
SMILESCOCC(C)(N)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-11(14,7-15-2)6-8-9(12)4-3-5-10(8)13/h3-5H,6-7,14H2,1-2H3
InChIKeyYYUPKVZVXUTWHT-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739420
1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine
CID 107307759
2-[(2,6-dichlorophenyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
CID 112566590
1,3-dichloro-2-[dideuterio(methoxy)methyl]benzene
CID 176829062
1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine
CID 61496061
1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine
CID 79197311
1-(2,6-dichlorophenyl)-2-(2-methoxyphenyl)propan-2-ol
CID 65144676
1-chloro-2-(2,2-dimethylpropyl)-3-methylbenzene
CID 118259234
2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine
CID 107359274
2-(4-bromo-2,2-dimethylpentyl)-1,3-dichlorobenzene
CID 64718339
2-cyclopropyl-3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159631
CID 174042722
CID 174042722

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-methoxy-2-methylpropan-2-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-methoxy-2-methylpropan-2-amine (CID 62622775) is 1-(2,6-dichlorophenyl)-3-methoxy-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-methoxy-2-methylpropan-2-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-methoxy-2-methylpropan-2-amine is COCC(C)(N)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-methoxy-2-methylpropan-2-amine?
The InChIKey is YYUPKVZVXUTWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-11(14,7-15-2)6-8-9(12)4-3-5-10(8)13/h3-5H,6-7,14H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-methoxy-2-methylpropan-2-amine?
1-(2,6-dichlorophenyl)-3-methoxy-2-methylpropan-2-amine has a molecular weight of 248.15 g/mol, XLogP of 2.90, 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-2-methylpropan-2-amine is sourced from PubChem (CID 62622775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).