1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine

C13H23NO2 — CID 61483869

IUPAC1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
SMILESCC(C)CCOCCNC(C)c1ccco1
InChIInChI=1S/C13H23NO2/c1-11(2)6-9-15-10-7-14-12(3)13-5-4-8-16-13/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3
InChIKeyLPQBSLQBHMBYRI-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.99
Rot. Bonds8

About 1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine

1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine (PubChem CID 61483869) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
PubChem CID61483869
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
SMILESCC(C)CCOCCNC(C)c1ccco1
InChIInChI=1S/C13H23NO2/c1-11(2)6-9-15-10-7-14-12(3)13-5-4-8-16-13/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3
InChIKeyLPQBSLQBHMBYRI-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
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
N-[2-(cyclopropylmethoxy)ethyl]-1-(furan-2-yl)ethanamine
CID 62598356
N-ethyl-1-(furan-2-yl)-3-(3-methylbutoxy)propan-1-amine
CID 115002660
1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine
CID 102987416
N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine
CID 61483773
(1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine
CID 81400353
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
N'-[1-(furan-2-yl)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62561068
4-[[(1S)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81401126
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
5-[1-(furan-2-yl)ethylamino]pentanenitrile
CID 60698105

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine (CID 61483869) is 1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine is CC(C)CCOCCNC(C)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine?
The InChIKey is LPQBSLQBHMBYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(2)6-9-15-10-7-14-12(3)13-5-4-8-16-13/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine?
1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine has a molecular weight of 225.33 g/mol, XLogP of 2.99, 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-(3-methylbutoxy)ethyl]ethanamine is sourced from PubChem (CID 61483869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).