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

C18H22BrNO — CID 82955278

IUPAC1-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1Oc1cc(C)ccc1C
InChIInChI=1S/C18H22BrNO/c1-5-20-14(4)16-9-8-15(19)11-18(16)21-17-10-12(2)6-7-13(17)3/h6-11,14,20H,5H2,1-4H3
InChIKeyLZWKBZSGJUFCNI-UHFFFAOYSA-N
MW348.28 g/mol
LogP5.53
Rot. Bonds5

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

1-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine (PubChem CID 82955278) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine
PubChem CID82955278
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1Oc1cc(C)ccc1C
InChIInChI=1S/C18H22BrNO/c1-5-20-14(4)16-9-8-15(19)11-18(16)21-17-10-12(2)6-7-13(17)3/h6-11,14,20H,5H2,1-4H3
InChIKeyLZWKBZSGJUFCNI-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-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982300
1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 82956465
1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine
CID 107284810
1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640996
1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 107284790
1-[4-bromo-2-(2-bromo-4-chlorophenoxy)phenyl]-N-ethylethanamine
CID 82954499
1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]-N-ethylethanamine
CID 82953588
1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640634
1-[4-bromo-2-(3,4-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 82956082
1-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylethanamine
CID 116689275
1-[4-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 43285455
1-(4-bromo-2-butoxyphenyl)-N-ethylethanamine
CID 82976092

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine (CID 82955278) is 1-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(Br)cc1Oc1cc(C)ccc1C.
What is the InChIKey of 1-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine?
The InChIKey is LZWKBZSGJUFCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-5-20-14(4)16-9-8-15(19)11-18(16)21-17-10-12(2)6-7-13(17)3/h6-11,14,20H,5H2,1-4H3.
What are the key properties of 1-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine?
1-[4-bromo-2-(2,5-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-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 82955278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).