2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine

C15H14Br2ClNO — CID 107739438

IUPAC2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C15H14Br2ClNO/c16-13-7-11(5-6-19)8-14(17)15(13)20-9-10-1-3-12(18)4-2-10/h1-4,7-8H,5-6,9,19H2
InChIKeyMMGLGYQAQSKSKG-UHFFFAOYSA-N
MW419.54 g/mol
LogP4.95
Rot. Bonds5

About 2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine

2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine (PubChem CID 107739438) has the molecular formula C15H14Br2ClNO and a molecular weight of 419.54 g/mol. Its IUPAC name is 2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine
PubChem CID107739438
Molecular FormulaC15H14Br2ClNO
Molecular Weight419.54 g/mol
Exact Mass416.91
IUPAC Name2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C15H14Br2ClNO/c16-13-7-11(5-6-19)8-14(17)15(13)20-9-10-1-3-12(18)4-2-10/h1-4,7-8H,5-6,9,19H2
InChIKeyMMGLGYQAQSKSKG-UHFFFAOYSA-N
XLogP4.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.54
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(2-aminoethyl)-2,6-dibromophenoxy]methyl]benzonitrile
CID 107739632
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882250
2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739499
2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350387
2-[3,5-dibromo-4-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 107739418
N-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 107742064
2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739433
4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol
CID 107741447
4-[(2-bromo-4,6-dichlorophenoxy)methyl]aniline
CID 22688171
3-[[4-(2-aminoethyl)-2,6-dibromophenoxy]methyl]benzonitrile
CID 107739569
[3,5-dibromo-4-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 107741554
1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene
CID 107745706

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine (CID 107739438) is 2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine is NCCc1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of 2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is MMGLGYQAQSKSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClNO/c16-13-7-11(5-6-19)8-14(17)15(13)20-9-10-1-3-12(18)4-2-10/h1-4,7-8H,5-6,9,19H2.
What are the key properties of 2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine?
2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 419.54 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 107739438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).