2-(3,4-dichlorophenoxy)-N-methylbutan-1-amine

C11H15Cl2NO — CID 62484165

IUPAC2-(3,4-dichlorophenoxy)-N-methylbutan-1-amine
SMILESCCC(CNC)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO/c1-3-8(7-14-2)15-9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3
InChIKeyCOARTXZNHUMTTK-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.37
Rot. Bonds5

About 2-(3,4-dichlorophenoxy)-N-methylbutan-1-amine

2-(3,4-dichlorophenoxy)-N-methylbutan-1-amine (PubChem CID 62484165) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-methylbutan-1-amine
PubChem CID62484165
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name2-(3,4-dichlorophenoxy)-N-methylbutan-1-amine
SMILESCCC(CNC)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO/c1-3-8(7-14-2)15-9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3
InChIKeyCOARTXZNHUMTTK-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

CID 803039
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CID 10315310
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CID 10733406
CID 10733406
CID 2250975
CID 2250975
CID 10108471
CID 10108471
CID 57159249
CID 57159249
CID 16247253
CID 16247253
CID 3842173
CID 3842173
CID 295966
CID 295966
CID 2248430
CID 2248430
CID 2296510
CID 2296510
CID 2923917
CID 2923917

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-methylbutan-1-amine?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-methylbutan-1-amine (CID 62484165) is 2-(3,4-dichlorophenoxy)-N-methylbutan-1-amine.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-methylbutan-1-amine?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-methylbutan-1-amine is CCC(CNC)Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-methylbutan-1-amine?
The InChIKey is COARTXZNHUMTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-3-8(7-14-2)15-9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenoxy)-N-methylbutan-1-amine?
2-(3,4-dichlorophenoxy)-N-methylbutan-1-amine has a molecular weight of 248.15 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-methylbutan-1-amine is sourced from PubChem (CID 62484165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).