1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine

C17H19Cl2NO — CID 114862972

IUPAC1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1C
InChIInChI=1S/C17H19Cl2NO/c1-3-15(20)10-12-9-14(19)5-7-17(12)21-16-6-4-13(18)8-11(16)2/h4-9,15H,3,10,20H2,1-2H3
InChIKeyZDFAAUPMWPBEMW-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.37
Rot. Bonds5

About 1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine

1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine (PubChem CID 114862972) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
PubChem CID114862972
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1C
InChIInChI=1S/C17H19Cl2NO/c1-3-15(20)10-12-9-14(19)5-7-17(12)21-16-6-4-13(18)8-11(16)2/h4-9,15H,3,10,20H2,1-2H3
InChIKeyZDFAAUPMWPBEMW-UHFFFAOYSA-N
XLogP5.37
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 ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine
CID 114862910
1-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]butan-2-amine
CID 114863152
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 81160055
1-[5-chloro-2-(2-methylsulfanylphenoxy)phenyl]butan-2-amine
CID 114863168
1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine
CID 114863411
1-[5-chloro-2-(3-ethylphenoxy)phenyl]butan-2-amine
CID 114862642
1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine
CID 114863283
1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine
CID 63421655
1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine
CID 114862724
1-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 54929442
1-[2-[(E)-but-2-enoxy]-5-chlorophenyl]butan-2-amine
CID 54929309
1-[4-chloro-2-(2-ethylphenoxy)phenyl]butan-2-amine
CID 114863092

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine (CID 114862972) is 1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine is CCC(N)Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1C.
What is the InChIKey of 1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine?
The InChIKey is ZDFAAUPMWPBEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-3-15(20)10-12-9-14(19)5-7-17(12)21-16-6-4-13(18)8-11(16)2/h4-9,15H,3,10,20H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine?
1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine has a molecular weight of 324.25 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine is sourced from PubChem (CID 114862972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).