1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine

C18H22BrNO — CID 63527401

IUPAC1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1)c1ccc(Br)cc1C
InChIInChI=1S/C18H22BrNO/c1-4-20-18(17-9-8-15(19)10-13(17)2)12-14-6-5-7-16(11-14)21-3/h5-11,18,20H,4,12H2,1-3H3
InChIKeySTHYXENVKGPNES-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.66
Rot. Bonds6

About 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine

1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine (PubChem CID 63527401) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
PubChem CID63527401
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1)c1ccc(Br)cc1C
InChIInChI=1S/C18H22BrNO/c1-4-20-18(17-9-8-15(19)10-13(17)2)12-14-6-5-7-16(11-14)21-3/h5-11,18,20H,4,12H2,1-3H3
InChIKeySTHYXENVKGPNES-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-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 63527751
N-ethyl-2-(3-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79802298
2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60819413
2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990001
1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 63507204
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 63527393
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 107945442
2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 63503341
1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 105133699
1-(2,6-dimethyl-4-pyridinyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 107503839
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 64714865
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine (CID 63527401) is 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine is CCNC(Cc1cccc(OC)c1)c1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The InChIKey is STHYXENVKGPNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-20-18(17-9-8-15(19)10-13(17)2)12-14-6-5-7-16(11-14)21-3/h5-11,18,20H,4,12H2,1-3H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-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-(4-bromo-2-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 63527401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).