2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine

C18H22BrNO — CID 115787144

IUPAC2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1Br)c1ccc(C)c(OC)c1
InChIInChI=1S/C18H22BrNO/c1-4-20-17(11-14-7-5-6-8-16(14)19)15-10-9-13(2)18(12-15)21-3/h5-10,12,17,20H,4,11H2,1-3H3
InChIKeyGJVHNXRHTZHCON-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.66
Rot. Bonds6

About 2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine

2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine (PubChem CID 115787144) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine
PubChem CID115787144
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1Br)c1ccc(C)c(OC)c1
InChIInChI=1S/C18H22BrNO/c1-4-20-17(11-14-7-5-6-8-16(14)19)15-10-9-13(2)18(12-15)21-3/h5-10,12,17,20H,4,11H2,1-3H3
InChIKeyGJVHNXRHTZHCON-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-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 114977277
N-ethyl-1-(4-methoxy-3-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 43493617
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 63528444
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 115787521
N-ethyl-1-(3-methoxy-4-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 62389756
N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine
CID 105028177
N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 115782382
2-(2-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115787208
[1-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)ethyl]hydrazine
CID 105283965
N-ethyl-1-(3-methoxy-4-methylphenyl)but-3-yn-1-amine
CID 114977449
2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 115787466
N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine
CID 43489086

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine (CID 115787144) is 2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine is CCNC(Cc1ccccc1Br)c1ccc(C)c(OC)c1.
What is the InChIKey of 2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine?
The InChIKey is GJVHNXRHTZHCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-20-17(11-14-7-5-6-8-16(14)19)15-10-9-13(2)18(12-15)21-3/h5-10,12,17,20H,4,11H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine?
2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-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-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 115787144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).