1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine

C17H20BrNO — CID 115853693

IUPAC1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccccc1C(NC)c1ccc(Br)c(C)c1
InChIInChI=1S/C17H20BrNO/c1-4-20-16-8-6-5-7-14(16)17(19-3)13-9-10-15(18)12(2)11-13/h5-11,17,19H,4H2,1-3H3
InChIKeySKNXWRNITUHULA-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.47
Rot. Bonds5

About 1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine

1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine (PubChem CID 115853693) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
PubChem CID115853693
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccccc1C(NC)c1ccc(Br)c(C)c1
InChIInChI=1S/C17H20BrNO/c1-4-20-16-8-6-5-7-14(16)17(19-3)13-9-10-15(18)12(2)11-13/h5-11,17,19H,4H2,1-3H3
InChIKeySKNXWRNITUHULA-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65298862
N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792566
1-(2-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115853566
1-(3-bromo-5-methylthiophen-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 65279831
1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 43480963
1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487683
N-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62801895
1-(5-bromo-2-ethoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43487355
N-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine
CID 79722958
1-(5-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115853667
1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 104659871
1-(4-bromo-3-methylphenyl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105397275

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine (CID 115853693) is 1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine is CCOc1ccccc1C(NC)c1ccc(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is SKNXWRNITUHULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-4-20-16-8-6-5-7-14(16)17(19-3)13-9-10-15(18)12(2)11-13/h5-11,17,19H,4H2,1-3H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 115853693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).