2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine

C17H20BrN — CID 60819413

IUPAC2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1ccccc1C
InChIInChI=1S/C17H20BrN/c1-3-19-17(16-10-5-4-7-13(16)2)12-14-8-6-9-15(18)11-14/h4-11,17,19H,3,12H2,1-2H3
InChIKeyATNKEKAUDYBFFN-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.65
Rot. Bonds5

About 2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine

2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine (PubChem CID 60819413) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
PubChem CID60819413
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1ccccc1C
InChIInChI=1S/C17H20BrN/c1-3-19-17(16-10-5-4-7-13(16)2)12-14-8-6-9-15(18)11-14/h4-11,17,19H,3,12H2,1-2H3
InChIKeyATNKEKAUDYBFFN-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990001
N-ethyl-1-(2-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 55025976
2-(4-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60820542
2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 63508792
2-(3-bromophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63413364
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 63527401
2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 60819247
1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine
CID 105024448
2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 63503341
2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 60818969
N-[2-(3-bromophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63528987
1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 63507204

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine (CID 60819413) is 2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine is CCNC(Cc1cccc(Br)c1)c1ccccc1C.
What is the InChIKey of 2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine?
The InChIKey is ATNKEKAUDYBFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-3-19-17(16-10-5-4-7-13(16)2)12-14-8-6-9-15(18)11-14/h4-11,17,19H,3,12H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine?
2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine has a molecular weight of 318.26 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 60819413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).