N-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine

C16H23NO3 — CID 51346176

IUPACN-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine
SMILESC#CCOCCOCCOCCNCc1ccccc1
InChIInChI=1S/C16H23NO3/c1-2-9-18-11-13-20-14-12-19-10-8-17-15-16-6-4-3-5-7-16/h1,3-7,17H,8-15H2
InChIKeyPYFSEYSBXBLOKX-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.46
Rot. Bonds12

About N-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine

N-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine (PubChem CID 51346176) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine
PubChem CID51346176
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine
SMILESC#CCOCCOCCOCCNCc1ccccc1
InChIInChI=1S/C16H23NO3/c1-2-9-18-11-13-20-14-12-19-10-8-17-15-16-6-4-3-5-7-16/h1,3-7,17H,8-15H2
InChIKeyPYFSEYSBXBLOKX-UHFFFAOYSA-N
XLogP1.46
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(benzylamino)ethoxy]-N-ethylethanamine
CID 18338934
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine
CID 131209291
N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine
CID 82353074
N-benzyl-2-(2-cyclopropylethoxy)ethanamine
CID 106206256
N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine
CID 2296532
2-phenyl-N-[(4-prop-2-ynoxyphenyl)methyl]ethanamine
CID 2235790
N-benzyl-2-pent-4-enoxyethanamine
CID 79114606
N-[2-(3-phenylpropoxy)ethyl]prop-2-yn-1-amine
CID 62584620
N-benzyl-2-(2-cyclobutylethoxy)ethanamine
CID 106206343

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine?
The IUPAC name of N-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine (CID 51346176) is N-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine.
What is the SMILES notation for N-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine?
The canonical SMILES for N-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine is C#CCOCCOCCOCCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine?
The InChIKey is PYFSEYSBXBLOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-9-18-11-13-20-14-12-19-10-8-17-15-16-6-4-3-5-7-16/h1,3-7,17H,8-15H2.
What are the key properties of N-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine?
N-benzyl-2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine has a molecular weight of 277.36 g/mol, XLogP of 1.46, 12 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-prop-2-ynoxyethoxy)ethoxy]ethanamine is sourced from PubChem (CID 51346176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).