N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine

C15H24BrNO2 — CID 82959881

IUPACN-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCN(CCOCC)Cc1ccccc1Br
InChIInChI=1S/C15H24BrNO2/c1-3-18-11-9-17(10-12-19-4-2)13-14-7-5-6-8-15(14)16/h5-8H,3-4,9-13H2,1-2H3
InChIKeyONIKBIUBTWTSBM-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.32
Rot. Bonds10

About N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine

N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine (PubChem CID 82959881) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
PubChem CID82959881
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC NameN-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCN(CCOCC)Cc1ccccc1Br
InChIInChI=1S/C15H24BrNO2/c1-3-18-11-9-17(10-12-19-4-2)13-14-7-5-6-8-15(14)16/h5-8H,3-4,9-13H2,1-2H3
InChIKeyONIKBIUBTWTSBM-UHFFFAOYSA-N
XLogP3.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine
CID 78914332
N-(2-bromoethyl)-N-[(2-bromophenyl)methyl]butan-1-amine
CID 80672295
2-[[bis(2-ethoxyethyl)amino]methyl]-6-fluorophenol
CID 115958911
N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine
CID 65325974
N'-[(2-bromophenyl)methyl]-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine
CID 62558202
N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 112728025
2-(2-bromophenyl)ethyl-(2-ethoxyethyl)carbamic acid
CID 68730463
N-benzyl-N-[(2-bromophenyl)methyl]ethanamine
CID 55027071
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
4-bromo-3-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 115297795
N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
CID 78942264
N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
CID 107367178

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine (CID 82959881) is N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine is CCOCCN(CCOCC)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The InChIKey is ONIKBIUBTWTSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-3-18-11-9-17(10-12-19-4-2)13-14-7-5-6-8-15(14)16/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine has a molecular weight of 330.27 g/mol, XLogP of 3.32, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine is sourced from PubChem (CID 82959881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).