N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine

C16H27NO3 — CID 2299444

IUPACN-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine
SMILESCCCCNCCOCCOc1cccc(OCC)c1
InChIInChI=1S/C16H27NO3/c1-3-5-9-17-10-11-18-12-13-20-16-8-6-7-15(14-16)19-4-2/h6-8,14,17H,3-5,9-13H2,1-2H3
InChIKeyKFQHRLWYGHZLIX-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.87
Rot. Bonds12

About N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine

N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine (PubChem CID 2299444) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine
PubChem CID2299444
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine
SMILESCCCCNCCOCCOc1cccc(OCC)c1
InChIInChI=1S/C16H27NO3/c1-3-5-9-17-10-11-18-12-13-20-16-8-6-7-15(14-16)19-4-2/h6-8,14,17H,3-5,9-13H2,1-2H3
InChIKeyKFQHRLWYGHZLIX-UHFFFAOYSA-N
XLogP2.87
TPSA39.72 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 ≤ 52.87
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-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]butan-1-amine;oxalic acid
CID 2922395
N-[2-(3-chlorophenoxy)ethyl]butan-1-amine
CID 60684753
N-[2-(2-phenoxyethoxy)ethyl]hexan-1-amine
CID 62564835
3-(3-ethoxyphenoxy)-N-ethylpropan-1-amine
CID 62337478
1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2923613
N-butyl-5-(3-methoxyphenoxy)pentan-1-amine
CID 2247389
azane;1-ethoxy-3-pentoxybenzene
CID 68858003
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
2-(butylamino)ethyl 3-ethoxybenzoate
CID 82532358
N-butyl-3-(2-ethoxyethoxy)aniline
CID 54801731
2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
CID 62572262

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine?
The IUPAC name of N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine (CID 2299444) is N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine.
What is the SMILES notation for N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine?
The canonical SMILES for N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine is CCCCNCCOCCOc1cccc(OCC)c1.
What is the InChIKey of N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine?
The InChIKey is KFQHRLWYGHZLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-3-5-9-17-10-11-18-12-13-20-16-8-6-7-15(14-16)19-4-2/h6-8,14,17H,3-5,9-13H2,1-2H3.
What are the key properties of N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine?
N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.87, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine is sourced from PubChem (CID 2299444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).