2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine

C15H15BrClNO — CID 83133250

IUPAC2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine
SMILESCc1cc(OC(CN)c2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C15H15BrClNO/c1-10-8-13(6-7-14(10)16)19-15(9-18)11-2-4-12(17)5-3-11/h2-8,15H,9,18H2,1H3
InChIKeyKHTBWMDPRVTRIJ-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.49
Rot. Bonds4

About 2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine

2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine (PubChem CID 83133250) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine
PubChem CID83133250
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine
SMILESCc1cc(OC(CN)c2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C15H15BrClNO/c1-10-8-13(6-7-14(10)16)19-15(9-18)11-2-4-12(17)5-3-11/h2-8,15H,9,18H2,1H3
InChIKeyKHTBWMDPRVTRIJ-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 83133763
2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
CID 107168741
2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine
CID 55015152
2-(4-bromo-3-methylphenoxy)-2-(5-methylthiophen-2-yl)ethanamine
CID 83133681
2-(4-chloro-3-fluorophenoxy)-2-(4-methylphenyl)ethanamine
CID 82716544
2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine
CID 83132841
2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine
CID 65204084
2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine
CID 115492276
2-(4-bromophenoxy)-2-(4-bromophenyl)ethanamine
CID 55016034
2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine
CID 83232517
2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine
CID 83233344
3-(4-bromo-3-methylphenoxy)propan-1-amine
CID 83133338

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine (CID 83133250) is 2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine is Cc1cc(OC(CN)c2ccc(Cl)cc2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine?
The InChIKey is KHTBWMDPRVTRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-10-8-13(6-7-14(10)16)19-15(9-18)11-2-4-12(17)5-3-11/h2-8,15H,9,18H2,1H3.
What are the key properties of 2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine?
2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine has a molecular weight of 340.65 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 83133250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).