2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine

C18H22BrNO — CID 65325071

IUPAC2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(OC)ccc1Br)c1ccccc1C
InChIInChI=1S/C18H22BrNO/c1-4-20-18(16-8-6-5-7-13(16)2)12-14-11-15(21-3)9-10-17(14)19/h5-11,18,20H,4,12H2,1-3H3
InChIKeyHBTJITQJRIQWIG-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.66
Rot. Bonds6

About 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine

2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine (PubChem CID 65325071) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
PubChem CID65325071
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(OC)ccc1Br)c1ccccc1C
InChIInChI=1S/C18H22BrNO/c1-4-20-18(16-8-6-5-7-13(16)2)12-14-11-15(21-3)9-10-17(14)19/h5-11,18,20H,4,12H2,1-3H3
InChIKeyHBTJITQJRIQWIG-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878468
2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-3-methylphenyl)-N-methylethanamine
CID 107985010
[2-(2-bromo-5-methoxyphenyl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine
CID 105309533
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115862379
1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63528581
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
2-(2-bromo-5-methoxyphenyl)-1-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 65325618
2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 106266939
1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 107982814
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715608
1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
CID 65325394

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine (CID 65325071) is 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine is CCNC(Cc1cc(OC)ccc1Br)c1ccccc1C.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine?
The InChIKey is HBTJITQJRIQWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-20-18(16-8-6-5-7-13(16)2)12-14-11-15(21-3)9-10-17(14)19/h5-11,18,20H,4,12H2,1-3H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine?
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine has a molecular weight of 348.28 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 65325071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).