1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine

C18H22BrNO — CID 63507204

IUPAC1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)c1cc(Br)ccc1OC
InChIInChI=1S/C18H22BrNO/c1-4-20-17(11-14-7-5-6-13(2)10-14)16-12-15(19)8-9-18(16)21-3/h5-10,12,17,20H,4,11H2,1-3H3
InChIKeyZPIWKYCICIOJGN-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.66
Rot. Bonds6

About 1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine

1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine (PubChem CID 63507204) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
PubChem CID63507204
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)c1cc(Br)ccc1OC
InChIInChI=1S/C18H22BrNO/c1-4-20-17(11-14-7-5-6-13(2)10-14)16-12-15(19)8-9-18(16)21-3/h5-10,12,17,20H,4,11H2,1-3H3
InChIKeyZPIWKYCICIOJGN-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-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 63503341
[2-(3-bromophenyl)-1-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105202744
N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990255
N-ethyl-1-(2-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 55025976
2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792439
N-[1-(2-methoxyphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60799288
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 63527401
1-(3-chloro-4-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 62388356
2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 63508792
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43492237
N-ethyl-1-(3-methoxy-4-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 62389756
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 63527751

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine (CID 63507204) is 1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine is CCNC(Cc1cccc(C)c1)c1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine?
The InChIKey is ZPIWKYCICIOJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-20-17(11-14-7-5-6-13(2)10-14)16-12-15(19)8-9-18(16)21-3/h5-10,12,17,20H,4,11H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine?
1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-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 1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 63507204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).