1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine

C12H21NO2 — CID 103271155

IUPAC1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine
SMILESCCOCC(NCc1ccco1)C(C)C
InChIInChI=1S/C12H21NO2/c1-4-14-9-12(10(2)3)13-8-11-6-5-7-15-11/h5-7,10,12-13H,4,8-9H2,1-3H3
InChIKeyYMTWUQNXIYRWRU-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.43
Rot. Bonds7

About 1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine

1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine (PubChem CID 103271155) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine
PubChem CID103271155
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine
SMILESCCOCC(NCc1ccco1)C(C)C
InChIInChI=1S/C12H21NO2/c1-4-14-9-12(10(2)3)13-8-11-6-5-7-15-11/h5-7,10,12-13H,4,8-9H2,1-3H3
InChIKeyYMTWUQNXIYRWRU-UHFFFAOYSA-N
XLogP2.43
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-ylmethylamino)-4-methylpentan-1-ol
CID 83818885
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103271023
[1-ethoxy-3-(furan-2-yl)propan-2-yl]hydrazine
CID 105235330
N-(1-benzofuran-3-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103271001
2-(furan-2-ylmethylamino)butan-1-ol
CID 4722612
N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine
CID 43776470
N-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride
CID 115616067
1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine
CID 107329660
ethyl 2-(furan-2-ylmethylamino)butanoate
CID 64667944
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(furan-2-yl)propan-2-amine
CID 63085668
N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine
CID 63099763

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine?
The IUPAC name of 1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine (CID 103271155) is 1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine?
The canonical SMILES for 1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine is CCOCC(NCc1ccco1)C(C)C.
What is the InChIKey of 1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine?
The InChIKey is YMTWUQNXIYRWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-14-9-12(10(2)3)13-8-11-6-5-7-15-11/h5-7,10,12-13H,4,8-9H2,1-3H3.
What are the key properties of 1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine?
1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine has a molecular weight of 211.30 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine is sourced from PubChem (CID 103271155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).