1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine

C18H22BrNO — CID 107982814

IUPAC1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccccc1OC)c1cccc(C)c1Br
InChIInChI=1S/C18H22BrNO/c1-4-20-16(15-10-7-8-13(2)18(15)19)12-14-9-5-6-11-17(14)21-3/h5-11,16,20H,4,12H2,1-3H3
InChIKeyUXSZDGOSVRPCOA-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.66
Rot. Bonds6

About 1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine

1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine (PubChem CID 107982814) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
PubChem CID107982814
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccccc1OC)c1cccc(C)c1Br
InChIInChI=1S/C18H22BrNO/c1-4-20-16(15-10-7-8-13(2)18(15)19)12-14-9-5-6-11-17(14)21-3/h5-11,16,20H,4,12H2,1-3H3
InChIKeyUXSZDGOSVRPCOA-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-(2-methylphenyl)ethanamine
CID 65325071
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine
CID 104793932
2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine
CID 63417209
1-(2-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 107985219
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-2-iodo-3-methylbenzene
CID 114029621
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 63528444
[1-(3-bromo-2-methylphenyl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105289476
1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene
CID 63542139
N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 115792936
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051314
1-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 80531281
2-(2,3-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63476125

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine (CID 107982814) is 1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine is CCNC(Cc1ccccc1OC)c1cccc(C)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The InChIKey is UXSZDGOSVRPCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-20-16(15-10-7-8-13(2)18(15)19)12-14-9-5-6-11-17(14)21-3/h5-11,16,20H,4,12H2,1-3H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)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 1-(2-bromo-3-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 107982814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).