2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine

C15H15BrClNO — CID 114321655

IUPAC2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine
SMILESNCCc1c(Cl)cccc1OCc1cccc(Br)c1
InChIInChI=1S/C15H15BrClNO/c16-12-4-1-3-11(9-12)10-19-15-6-2-5-14(17)13(15)7-8-18/h1-6,9H,7-8,10,18H2
InChIKeyGXGACZSRPYTFSH-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.18
Rot. Bonds5

About 2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine

2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine (PubChem CID 114321655) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine
PubChem CID114321655
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine
SMILESNCCc1c(Cl)cccc1OCc1cccc(Br)c1
InChIInChI=1S/C15H15BrClNO/c16-12-4-1-3-11(9-12)10-19-15-6-2-5-14(17)13(15)7-8-18/h1-6,9H,7-8,10,18H2
InChIKeyGXGACZSRPYTFSH-UHFFFAOYSA-N
XLogP4.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine 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

2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321473
2-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321633
N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine
CID 114319725
2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102878213
[2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine
CID 82827870
[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine
CID 114318396
2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 106269272
2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63325848
2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60906008
1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene
CID 55145542
1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine
CID 60879213
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine?
The IUPAC name of 2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine (CID 114321655) is 2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine.
What is the SMILES notation for 2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine?
The canonical SMILES for 2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine is NCCc1c(Cl)cccc1OCc1cccc(Br)c1.
What is the InChIKey of 2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine?
The InChIKey is GXGACZSRPYTFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c16-12-4-1-3-11(9-12)10-19-15-6-2-5-14(17)13(15)7-8-18/h1-6,9H,7-8,10,18H2.
What are the key properties of 2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine?
2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine has a molecular weight of 340.65 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine is sourced from PubChem (CID 114321655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).