N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine

C19H25NO3 — CID 2296532

IUPACN-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine
SMILESCCOc1ccccc1OCCOCCNCc1ccccc1
InChIInChI=1S/C19H25NO3/c1-2-22-18-10-6-7-11-19(18)23-15-14-21-13-12-20-16-17-8-4-3-5-9-17/h3-11,20H,2,12-16H2,1H3
InChIKeyYKJHEZCKEBEVIO-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.27
Rot. Bonds11

About N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine

N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine (PubChem CID 2296532) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine
PubChem CID2296532
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine
SMILESCCOc1ccccc1OCCOCCNCc1ccccc1
InChIInChI=1S/C19H25NO3/c1-2-22-18-10-6-7-11-19(18)23-15-14-21-13-12-20-16-17-8-4-3-5-9-17/h3-11,20H,2,12-16H2,1H3
InChIKeyYKJHEZCKEBEVIO-UHFFFAOYSA-N
XLogP3.27
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine;oxalic acid
CID 2922259
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine
CID 2280426
N-benzyl-2-(2-propoxyphenoxy)ethanamine
CID 62573087
2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39392014
2-[2-(benzylamino)ethoxy]-N-ethylethanamine
CID 18338934
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine
CID 131209291
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 3850725
2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol
CID 114332030
N-benzyl-2-(2,3-diethoxyphenyl)ethanamine
CID 69362422
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine?
The IUPAC name of N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine (CID 2296532) is N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine.
What is the SMILES notation for N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine?
The canonical SMILES for N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine is CCOc1ccccc1OCCOCCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine?
The InChIKey is YKJHEZCKEBEVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-2-22-18-10-6-7-11-19(18)23-15-14-21-13-12-20-16-17-8-4-3-5-9-17/h3-11,20H,2,12-16H2,1H3.
What are the key properties of N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine?
N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine has a molecular weight of 315.41 g/mol, XLogP of 3.27, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine is sourced from PubChem (CID 2296532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).