1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine

C15H15BrClNO — CID 114862844

IUPAC1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1Oc1ccc(Br)cc1
InChIInChI=1S/C15H15BrClNO/c1-10(18)8-11-2-5-13(17)9-15(11)19-14-6-3-12(16)4-7-14/h2-7,9-10H,8,18H2,1H3
InChIKeyKPPWFHQJISZHFJ-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.78
Rot. Bonds4

About 1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine

1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine (PubChem CID 114862844) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine
PubChem CID114862844
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1Oc1ccc(Br)cc1
InChIInChI=1S/C15H15BrClNO/c1-10(18)8-11-2-5-13(17)9-15(11)19-14-6-3-12(16)4-7-14/h2-7,9-10H,8,18H2,1H3
InChIKeyKPPWFHQJISZHFJ-UHFFFAOYSA-N
XLogP4.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-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-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine
CID 114862908
1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine
CID 114677140
1-[2-(3-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine
CID 114863443
1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 114862989
1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine
CID 114862777
[4-chloro-2-(4-propan-2-ylphenoxy)phenyl]methanamine
CID 63456564
1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine
CID 114863110
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 114857471
4-bromo-1-(chloromethyl)-2-(4-chlorophenoxy)benzene
CID 43174130
1-[4-bromo-2-(2-methylphenoxy)phenyl]propan-2-amine
CID 63801754
1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803114
2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63817335

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine?
The IUPAC name of 1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine (CID 114862844) is 1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine is CC(N)Cc1ccc(Cl)cc1Oc1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine?
The InChIKey is KPPWFHQJISZHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-10(18)8-11-2-5-13(17)9-15(11)19-14-6-3-12(16)4-7-14/h2-7,9-10H,8,18H2,1H3.
What are the key properties of 1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine?
1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine has a molecular weight of 340.65 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine is sourced from PubChem (CID 114862844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).