1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine

C11H15Cl2NO — CID 82131057

IUPAC1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)COc1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO/c1-11(2,14-3)7-15-9-6-4-5-8(12)10(9)13/h4-6,14H,7H2,1-3H3
InChIKeyQAXKRPQTJUCKEW-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.37
Rot. Bonds4

About 1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine

1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine (PubChem CID 82131057) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine
PubChem CID82131057
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)COc1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO/c1-11(2,14-3)7-15-9-6-4-5-8(12)10(9)13/h4-6,14H,7H2,1-3H3
InChIKeyQAXKRPQTJUCKEW-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenoxy)-N,2-dimethylpropan-2-amine
CID 82126890
1-(2,3-dichlorophenoxy)-2-phenylpropan-2-ol
CID 55068242
N,2-dimethyl-1-(2-methylphenoxy)propan-2-amine
CID 82125739
1,2-dichloro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 162775400
N-tert-butyl-2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine
CID 103066835
1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine
CID 82126938
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
2-[(2,3-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonamide
CID 65003700
1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one
CID 107508075
1,2-dichloro-3-(2,4,4-trimethylpentan-2-yloxy)benzene
CID 70807903
N-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine
CID 116690237
N-[3-(2,3-dichlorophenoxy)propyl]butan-1-amine
CID 2248430

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine (CID 82131057) is 1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine is CNC(C)(C)COc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine?
The InChIKey is QAXKRPQTJUCKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-11(2,14-3)7-15-9-6-4-5-8(12)10(9)13/h4-6,14H,7H2,1-3H3.
What are the key properties of 1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine?
1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine has a molecular weight of 248.15 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 82131057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).