1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine

C17H19Cl2NO — CID 63459961

IUPAC1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(C)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-3-15(20)17(12-5-7-13(18)8-6-12)21-16-9-4-11(2)10-14(16)19/h4-10,15,17H,3,20H2,1-2H3
InChIKeyIRLSADJLSFSXMD-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.16
Rot. Bonds5

About 1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine

1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine (PubChem CID 63459961) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine
PubChem CID63459961
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(C)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-3-15(20)17(12-5-7-13(18)8-6-12)21-16-9-4-11(2)10-14(16)19/h4-10,15,17H,3,20H2,1-2H3
InChIKeyIRLSADJLSFSXMD-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-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)butan-2-amine
CID 64855572
1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine
CID 62669549
2-(2-chloro-4-methylphenoxy)pentan-3-amine
CID 62671098
1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 62669704
1-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)butan-2-amine
CID 114671911
1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460298
1-(3-bromophenyl)-1-(2-fluoro-5-methylphenoxy)butan-2-amine
CID 64856145
1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63461040
1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine
CID 63458623
1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine
CID 62669709
1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine
CID 63036389
1-(2-bromophenyl)-1-(2,4-dichlorophenoxy)butan-2-amine
CID 63457464

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine (CID 63459961) is 1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine is CCC(N)C(Oc1ccc(C)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine?
The InChIKey is IRLSADJLSFSXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-3-15(20)17(12-5-7-13(18)8-6-12)21-16-9-4-11(2)10-14(16)19/h4-10,15,17H,3,20H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine?
1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)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-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine is sourced from PubChem (CID 63459961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).