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

C17H19Cl2NO — CID 114863152

IUPAC1-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1Oc1ccc(C)cc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-3-14(20)10-12-9-13(18)5-7-16(12)21-17-6-4-11(2)8-15(17)19/h4-9,14H,3,10,20H2,1-2H3
InChIKeySWOWWRKXHTWAPS-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.37
Rot. Bonds5

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

1-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]butan-2-amine (PubChem CID 114863152) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]butan-2-amine
PubChem CID114863152
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1Oc1ccc(C)cc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-3-14(20)10-12-9-13(18)5-7-16(12)21-17-6-4-11(2)8-15(17)19/h4-9,14H,3,10,20H2,1-2H3
InChIKeySWOWWRKXHTWAPS-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-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 114862972
1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine
CID 114862910
1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]butan-2-amine
CID 63803843
1-[5-chloro-2-(2-methylsulfanylphenoxy)phenyl]butan-2-amine
CID 114863168
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 81160055
1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine
CID 114863283
1-[5-chloro-2-(3-ethylphenoxy)phenyl]butan-2-amine
CID 114862642
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine
CID 63421655
1-[4-chloro-2-(2-ethylphenoxy)phenyl]butan-2-amine
CID 114863092
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

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]butan-2-amine (CID 114863152) is 1-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]butan-2-amine is CCC(N)Cc1cc(Cl)ccc1Oc1ccc(C)cc1Cl.
What is the InChIKey of 1-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]butan-2-amine?
The InChIKey is SWOWWRKXHTWAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-3-14(20)10-12-9-13(18)5-7-16(12)21-17-6-4-11(2)8-15(17)19/h4-9,14H,3,10,20H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(2-chloro-4-methylphenoxy)phenyl]butan-2-amine?
1-[5-chloro-2-(2-chloro-4-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-(2-chloro-4-methylphenoxy)phenyl]butan-2-amine is sourced from PubChem (CID 114863152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).