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

C18H22BrNO — CID 63503341

IUPAC2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H22BrNO/c1-4-20-17(12-14-6-5-7-16(19)11-14)15-8-9-18(21-3)13(2)10-15/h5-11,17,20H,4,12H2,1-3H3
InChIKeyMNVWPHPAEIDKOJ-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.66
Rot. Bonds6

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

2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine (PubChem CID 63503341) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
PubChem CID63503341
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H22BrNO/c1-4-20-17(12-14-6-5-7-16(19)11-14)15-8-9-18(21-3)13(2)10-15/h5-11,17,20H,4,12H2,1-3H3
InChIKeyMNVWPHPAEIDKOJ-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-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine
CID 63509459
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 104803662
2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 60819247
N-ethyl-1-(3-methoxy-4-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 62389756
N-ethyl-1-(4-methoxy-3-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 43493617
2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990001
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 104803663
[2-(3-bromophenyl)-1-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105192188
1-(3-chloro-4-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 62388356
1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 63507204
2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 63418487
N-ethyl-2-(furan-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine
CID 83183271

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine (CID 63503341) is 2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine is CCNC(Cc1cccc(Br)c1)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine?
The InChIKey is MNVWPHPAEIDKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-20-17(12-14-6-5-7-16(19)11-14)15-8-9-18(21-3)13(2)10-15/h5-11,17,20H,4,12H2,1-3H3.
What are the key properties of 2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine?
2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-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 2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine is sourced from PubChem (CID 63503341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).