1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine

C18H22BrNO — CID 82956465

IUPAC1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1Oc1ccc(C)cc1C
InChIInChI=1S/C18H22BrNO/c1-5-20-14(4)16-11-15(19)7-9-18(16)21-17-8-6-12(2)10-13(17)3/h6-11,14,20H,5H2,1-4H3
InChIKeyLAMXRVWBTVDXML-UHFFFAOYSA-N
MW348.28 g/mol
LogP5.53
Rot. Bonds5

About 1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine

1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine (PubChem CID 82956465) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine
PubChem CID82956465
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1Oc1ccc(C)cc1C
InChIInChI=1S/C18H22BrNO/c1-5-20-14(4)16-11-15(19)7-9-18(16)21-17-8-6-12(2)10-13(17)3/h6-11,14,20H,5H2,1-4H3
InChIKeyLAMXRVWBTVDXML-UHFFFAOYSA-N
XLogP5.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-methylethanamine
CID 82975637
1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine
CID 43285318
1-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 82955278
1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine
CID 82953582
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]benzonitrile
CID 82955859
1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63533186
1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine
CID 43505197
1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine
CID 82976432
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile
CID 60887297
1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
1-[5-bromo-2-(4-methylpentoxy)phenyl]-N-ethylethanamine
CID 82976012
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine (CID 82956465) is 1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine is CCNC(C)c1cc(Br)ccc1Oc1ccc(C)cc1C.
What is the InChIKey of 1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine?
The InChIKey is LAMXRVWBTVDXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-5-20-14(4)16-11-15(19)7-9-18(16)21-17-8-6-12(2)10-13(17)3/h6-11,14,20H,5H2,1-4H3.
What are the key properties of 1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine?
1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine has a molecular weight of 348.28 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 82956465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).