1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine

C13H23NO2 — CID 102987416

IUPAC1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine
SMILESCCCC(C)OCCNC(C)c1ccco1
InChIInChI=1S/C13H23NO2/c1-4-6-11(2)15-10-8-14-12(3)13-7-5-9-16-13/h5,7,9,11-12,14H,4,6,8,10H2,1-3H3
InChIKeyGXCQJQOZEAEJAN-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.14
Rot. Bonds8

About 1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine

1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine (PubChem CID 102987416) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine
PubChem CID102987416
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine
SMILESCCCC(C)OCCNC(C)c1ccco1
InChIInChI=1S/C13H23NO2/c1-4-6-11(2)15-10-8-14-12(3)13-7-5-9-16-13/h5,7,9,11-12,14H,4,6,8,10H2,1-3H3
InChIKeyGXCQJQOZEAEJAN-UHFFFAOYSA-N
XLogP3.14
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 61483869
N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
CID 81403081
N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine
CID 81403881
N-[1-(furan-2-yl)ethyl]nonan-1-amine
CID 43535684
(1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine
CID 81400353
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
N'-[1-(furan-2-yl)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62561068
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine
CID 62560734
N-[2-(cyclopropylmethoxy)ethyl]-1-(furan-2-yl)ethanamine
CID 62598356
2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine
CID 81400852

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine (CID 102987416) is 1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine is CCCC(C)OCCNC(C)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine?
The InChIKey is GXCQJQOZEAEJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-6-11(2)15-10-8-14-12(3)13-7-5-9-16-13/h5,7,9,11-12,14H,4,6,8,10H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine?
1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine has a molecular weight of 225.33 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine is sourced from PubChem (CID 102987416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).