N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine

C13H20BrNO — CID 940103

IUPACN-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine
SMILESCCOc1ccc(Br)cc1CN(CC)CC
InChIInChI=1S/C13H20BrNO/c1-4-15(5-2)10-11-9-12(14)7-8-13(11)16-6-3/h7-9H,4-6,10H2,1-3H3
InChIKeyDOMRRMQOEDFLKU-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.69
Rot. Bonds6

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

N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine (PubChem CID 940103) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine
PubChem CID940103
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC NameN-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine
SMILESCCOc1ccc(Br)cc1CN(CC)CC
InChIInChI=1S/C13H20BrNO/c1-4-15(5-2)10-11-9-12(14)7-8-13(11)16-6-3/h7-9H,4-6,10H2,1-3H3
InChIKeyDOMRRMQOEDFLKU-UHFFFAOYSA-N
XLogP3.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]propan-1-ol
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N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 973105
3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 63955929
2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
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4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene
CID 114061651
4-bromo-1-(methoxymethoxy)-2-propylbenzene
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CID 119776314

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine?
The IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine (CID 940103) is N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine is CCOc1ccc(Br)cc1CN(CC)CC.
What is the InChIKey of N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine?
The InChIKey is DOMRRMQOEDFLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-4-15(5-2)10-11-9-12(14)7-8-13(11)16-6-3/h7-9H,4-6,10H2,1-3H3.
What are the key properties of N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine?
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine has a molecular weight of 286.21 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine is sourced from PubChem (CID 940103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).