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

C17H29NO3 — CID 104561301

IUPACN-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
SMILESCCCCOCCOCCOCCNCc1ccccc1
InChIInChI=1S/C17H29NO3/c1-2-3-10-19-12-14-21-15-13-20-11-9-18-16-17-7-5-4-6-8-17/h4-8,18H,2-3,9-16H2,1H3
InChIKeyXPRNXOBHGSXWEG-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.63
Rot. Bonds14

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

N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine (PubChem CID 104561301) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
PubChem CID104561301
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
SMILESCCCCOCCOCCOCCNCc1ccccc1
InChIInChI=1S/C17H29NO3/c1-2-3-10-19-12-14-21-15-13-20-11-9-18-16-17-7-5-4-6-8-17/h4-8,18H,2-3,9-16H2,1H3
InChIKeyXPRNXOBHGSXWEG-UHFFFAOYSA-N
XLogP2.63
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.63
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-N-(2-propoxyethyl)ethane-1,2-diamine
CID 131209291
2-[2-(benzylamino)ethoxy]-N-ethylethanamine
CID 18338934
2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 104561604
2-butoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 55137655
2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 61171818
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine
CID 2296532
azane;N-benzylbutan-1-amine
CID 175388745
2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79978936
N-benzyl-2-pent-4-enoxyethanamine
CID 79114606
2-butoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 61169682
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine?
The IUPAC name of N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine (CID 104561301) is N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine.
What is the SMILES notation for N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine?
The canonical SMILES for N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine is CCCCOCCOCCOCCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine?
The InChIKey is XPRNXOBHGSXWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-2-3-10-19-12-14-21-15-13-20-11-9-18-16-17-7-5-4-6-8-17/h4-8,18H,2-3,9-16H2,1H3.
What are the key properties of N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine?
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine has a molecular weight of 295.42 g/mol, XLogP of 2.63, 14 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-butoxyethoxy)ethoxy]ethanamine is sourced from PubChem (CID 104561301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).