1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine

C17H19Cl2NO — CID 63460308

IUPAC1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(Cl)c(Cl)c1)c1cccc(C)c1
InChIInChI=1S/C17H19Cl2NO/c1-3-16(20)17(12-6-4-5-11(2)9-12)21-13-7-8-14(18)15(19)10-13/h4-10,16-17H,3,20H2,1-2H3
InChIKeyFQQMGXMNWCGYNP-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.16
Rot. Bonds5

About 1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine

1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine (PubChem CID 63460308) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine
PubChem CID63460308
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(Cl)c(Cl)c1)c1cccc(C)c1
InChIInChI=1S/C17H19Cl2NO/c1-3-16(20)17(12-6-4-5-11(2)9-12)21-13-7-8-14(18)15(19)10-13/h4-10,16-17H,3,20H2,1-2H3
InChIKeyFQQMGXMNWCGYNP-UHFFFAOYSA-N
XLogP5.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-1-(3,4-dichlorophenoxy)butan-2-amine
CID 63461597
1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460298
1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine
CID 63461965
1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63457460
1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine
CID 62669549
1-(4-chloro-3-methylphenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63459345
1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63459593
1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 102980547
1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 65203639
1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020131
1-(3-methylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine
CID 115941853
2-(4-chloro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020229

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine (CID 63460308) is 1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine is CCC(N)C(Oc1ccc(Cl)c(Cl)c1)c1cccc(C)c1.
What is the InChIKey of 1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine?
The InChIKey is FQQMGXMNWCGYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-3-16(20)17(12-6-4-5-11(2)9-12)21-13-7-8-14(18)15(19)10-13/h4-10,16-17H,3,20H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine?
1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine has a molecular weight of 324.25 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 63460308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).