N-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine

C18H22BrNO — CID 43493559

IUPACN-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1C)c1cc(Br)ccc1OCC
InChIInChI=1S/C18H22BrNO/c1-4-20-18(15-9-7-6-8-13(15)3)16-12-14(19)10-11-17(16)21-5-2/h6-12,18,20H,4-5H2,1-3H3
InChIKeyMOOMFVGCHYTOHV-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.86
Rot. Bonds6

About N-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine

N-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine (PubChem CID 43493559) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine
PubChem CID43493559
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1C)c1cc(Br)ccc1OCC
InChIInChI=1S/C18H22BrNO/c1-4-20-18(15-9-7-6-8-13(15)3)16-12-14(19)10-11-17(16)21-5-2/h6-12,18,20H,4-5H2,1-3H3
InChIKeyMOOMFVGCHYTOHV-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 103400860
N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43487880
N-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine
CID 43493554
N-[(5-bromo-2-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine
CID 43493535
N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115827865
N-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
CID 43493518
N-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
CID 43493541
1-(5-bromo-2-ethoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43487355
N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850255
1-(2-ethoxy-5-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 62302995
1-(5-bromo-2-ethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43487365
1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43493527

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine (CID 43493559) is N-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine is CCNC(c1ccccc1C)c1cc(Br)ccc1OCC.
What is the InChIKey of N-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine?
The InChIKey is MOOMFVGCHYTOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-20-18(15-9-7-6-8-13(15)3)16-12-14(19)10-11-17(16)21-5-2/h6-12,18,20H,4-5H2,1-3H3.
What are the key properties of N-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine?
N-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine has a molecular weight of 348.28 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43493559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).