1-(2,3-dihydrofuran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-amine

C12H23NO2 — CID 102652218

IUPAC1-(2,3-dihydrofuran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-amine
SMILESCCOC(C(N)C1=CCCO1)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-5-14-11(12(2,3)4)10(13)9-7-6-8-15-9/h7,10-11H,5-6,8,13H2,1-4H3
InChIKeyYWYAPJDNYJOPBV-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.07
Rot. Bonds4

About 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-amine

1-(2,3-dihydrofuran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-amine (PubChem CID 102652218) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-amine
PubChem CID102652218
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-amine
SMILESCCOC(C(N)C1=CCCO1)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-5-14-11(12(2,3)4)10(13)9-7-6-8-15-9/h7,10-11H,5-6,8,13H2,1-4H3
InChIKeyYWYAPJDNYJOPBV-UHFFFAOYSA-N
XLogP2.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine
CID 89017377
(1R)-2,2-dimethyl-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017378
(1R)-2-methyl-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017392
(1R)-2,2-dimethyl-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89073385
(1R)-2-methyl-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89073393
2,2-Dimethyl-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89205627
(1R)-2,2-dimethyl-1-(3-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 142180522
(Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine
CID 142810533
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine
CID 102647130
1-(3,4-dihydro-2H-pyran-6-yl)-3,3-dimethylbutan-1-amine
CID 102647451
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxybutan-1-amine
CID 102648055
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxybutan-1-amine
CID 102648059

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-amine (CID 102652218) is 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-amine is CCOC(C(N)C1=CCCO1)C(C)(C)C.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-amine?
The InChIKey is YWYAPJDNYJOPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-14-11(12(2,3)4)10(13)9-7-6-8-15-9/h7,10-11H,5-6,8,13H2,1-4H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-amine?
1-(2,3-dihydrofuran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 102652218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).