4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol

C16H27NO3 — CID 122198142

IUPAC4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol
SMILESCOCCOCCN(CCCCO)Cc1ccccc1
InChIInChI=1S/C16H27NO3/c1-19-13-14-20-12-10-17(9-5-6-11-18)15-16-7-3-2-4-8-16/h2-4,7-8,18H,5-6,9-15H2,1H3
InChIKeyBZTNJIIYYOXRKZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.92
Rot. Bonds12

About 4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol

4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol (PubChem CID 122198142) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol
PubChem CID122198142
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol
SMILESCOCCOCCN(CCCCO)Cc1ccccc1
InChIInChI=1S/C16H27NO3/c1-19-13-14-20-12-10-17(9-5-6-11-18)15-16-7-3-2-4-8-16/h2-4,7-8,18H,5-6,9-15H2,1H3
InChIKeyBZTNJIIYYOXRKZ-UHFFFAOYSA-N
XLogP1.92
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.92
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

4-[benzyl(propyl)amino]butan-1-ol
CID 130822527
N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine
CID 57298198
N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine;hydrochloride
CID 173426677
2-[benzyl(4-methoxybutyl)amino]acetic acid
CID 119134936
3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 176613357
2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol
CID 61069966
5-[2-aminoethyl(benzyl)amino]pentan-1-ol
CID 62229179
2-(2-methoxyethoxy)-N,N-bis[2-(2-methoxyethoxy)ethyl]ethanamine;toluene
CID 118437277
N-benzyl-4-hydroxy-N-(2-methoxyethyl)butanamide
CID 79205106
tert-butyl 3-[2-[2-[benzyl-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoate
CID 171748821
N-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine
CID 155672895
2-[benzyl(nonyl)amino]ethanol
CID 63469962

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol?
The IUPAC name of 4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol (CID 122198142) is 4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol.
What is the SMILES notation for 4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol?
The canonical SMILES for 4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol is COCCOCCN(CCCCO)Cc1ccccc1.
What is the InChIKey of 4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol?
The InChIKey is BZTNJIIYYOXRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-19-13-14-20-12-10-17(9-5-6-11-18)15-16-7-3-2-4-8-16/h2-4,7-8,18H,5-6,9-15H2,1H3.
What are the key properties of 4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol?
4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 1.92, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol is sourced from PubChem (CID 122198142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).