1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine

C18H22BrNO — CID 63459593

IUPAC1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(Br)cc1C)c1cccc(C)c1
InChIInChI=1S/C18H22BrNO/c1-4-16(20)18(14-7-5-6-12(2)10-14)21-17-9-8-15(19)11-13(17)3/h5-11,16,18H,4,20H2,1-3H3
InChIKeyJBMWJJZOYVZKEG-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.92
Rot. Bonds5

About 1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine

1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine (PubChem CID 63459593) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
PubChem CID63459593
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(Br)cc1C)c1cccc(C)c1
InChIInChI=1S/C18H22BrNO/c1-4-16(20)18(14-7-5-6-12(2)10-14)21-17-9-8-15(19)11-13(17)3/h5-11,16,18H,4,20H2,1-3H3
InChIKeyJBMWJJZOYVZKEG-UHFFFAOYSA-N
XLogP4.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460868
1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine
CID 63458623
1-(3-bromophenyl)-1-(2-fluoro-5-methylphenoxy)butan-2-amine
CID 64856145
1-(5-bromo-2-methylphenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 107283412
1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 102980547
1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460298
1-(2-bromophenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460434
1-(4-bromo-2-methylphenoxy)-1-(5-bromothiophen-2-yl)butan-2-amine
CID 63461975
1-(3-bromophenyl)-1-(2-iodophenoxy)butan-2-amine
CID 63459762
1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine
CID 62669549
1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine
CID 63457964
1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine
CID 63038140

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine?
The IUPAC name of 1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine (CID 63459593) is 1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine is CCC(N)C(Oc1ccc(Br)cc1C)c1cccc(C)c1.
What is the InChIKey of 1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine?
The InChIKey is JBMWJJZOYVZKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-16(20)18(14-7-5-6-12(2)10-14)21-17-9-8-15(19)11-13(17)3/h5-11,16,18H,4,20H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine?
1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine has a molecular weight of 348.28 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 63459593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).