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

C18H22BrNO — CID 106792439

IUPAC2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1ccc(C)cc1OC
InChIInChI=1S/C18H22BrNO/c1-4-20-17(12-14-6-8-15(19)9-7-14)16-10-5-13(2)11-18(16)21-3/h5-11,17,20H,4,12H2,1-3H3
InChIKeyXTADDICJDXKWRL-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.66
Rot. Bonds6

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

2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine (PubChem CID 106792439) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
PubChem CID106792439
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1ccc(C)cc1OC
InChIInChI=1S/C18H22BrNO/c1-4-20-17(12-14-6-8-15(19)9-7-14)16-10-5-13(2)11-18(16)21-3/h5-11,17,20H,4,12H2,1-3H3
InChIKeyXTADDICJDXKWRL-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

1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 115369494
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43492237
2-(4-chlorophenyl)-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43626354
N-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115864174
1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 63507204
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527590
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528287
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792395
N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 106792380
N-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine
CID 106792257
N-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine
CID 106792394
2-(4-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60820542

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine (CID 106792439) is 2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine is CCNC(Cc1ccc(Br)cc1)c1ccc(C)cc1OC.
What is the InChIKey of 2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine?
The InChIKey is XTADDICJDXKWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-20-17(12-14-6-8-15(19)9-7-14)16-10-5-13(2)11-18(16)21-3/h5-11,17,20H,4,12H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine?
2-(4-bromophenyl)-N-ethyl-1-(2-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-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 106792439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).