1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine

C17H20BrNO2 — CID 60736257

IUPAC1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
SMILESCCOc1ccc(CNCc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C17H20BrNO2/c1-3-21-16-9-6-14(10-17(16)20-2)12-19-11-13-4-7-15(18)8-5-13/h4-10,19H,3,11-12H2,1-2H3
InChIKeyIEGAALBSUVGBEJ-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.15
Rot. Bonds7

About 1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine

1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine (PubChem CID 60736257) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
PubChem CID60736257
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
SMILESCCOc1ccc(CNCc2ccc(Br)cc2)cc1OC
InChIInChI=1S/C17H20BrNO2/c1-3-21-16-9-6-14(10-17(16)20-2)12-19-11-13-4-7-15(18)8-5-13/h4-10,19H,3,11-12H2,1-2H3
InChIKeyIEGAALBSUVGBEJ-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
CID 60735183
1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine
CID 61400837
1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664197
N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 60887964
4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 60657358
5-bromo-2-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]aniline
CID 63478094
1-(4-ethoxy-3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62847891
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29225928
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine
CID 61463346

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine (CID 60736257) is 1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine is CCOc1ccc(CNCc2ccc(Br)cc2)cc1OC.
What is the InChIKey of 1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine?
The InChIKey is IEGAALBSUVGBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-3-21-16-9-6-14(10-17(16)20-2)12-19-11-13-4-7-15(18)8-5-13/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine?
1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine has a molecular weight of 350.26 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 60736257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).