2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine

C16H18BrNO2 — CID 60685867

IUPAC2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCOc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H18BrNO2/c1-19-15-6-2-13(3-7-15)12-18-10-11-20-16-8-4-14(17)5-9-16/h2-9,18H,10-12H2,1H3
InChIKeyULVQYSNTGXPPFS-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.63
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine

2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine (PubChem CID 60685867) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
PubChem CID60685867
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCOc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H18BrNO2/c1-19-15-6-2-13(3-7-15)12-18-10-11-20-16-8-4-14(17)5-9-16/h2-9,18H,10-12H2,1H3
InChIKeyULVQYSNTGXPPFS-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60690670
2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39454639
2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 60690018
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
2-[4-[[2-(4-methoxyphenoxy)ethylamino]methyl]phenoxy]-2-methylpropanoic acid
CID 70806396
2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine
CID 10004038
2-(4-bromophenoxy)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 54971643
N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005246
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
2-butoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 55137655

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine (CID 60685867) is 2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine is COc1ccc(CNCCOc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is ULVQYSNTGXPPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-19-15-6-2-13(3-7-15)12-18-10-11-20-16-8-4-14(17)5-9-16/h2-9,18H,10-12H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine?
2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 336.23 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 60685867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).