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

C11H21NO2 — CID 102652214

IUPAC1-(2,3-dihydrofuran-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCOC(C(N)C1=CCCO1)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-11(2,3)10(13-4)9(12)8-6-5-7-14-8/h6,9-10H,5,7,12H2,1-4H3
InChIKeyXLAJFFBDAVFNDI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.68
Rot. Bonds3

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

1-(2,3-dihydrofuran-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine (PubChem CID 102652214) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine
PubChem CID102652214
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCOC(C(N)C1=CCCO1)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-11(2,3)10(13-4)9(12)8-6-5-7-14-8/h6,9-10H,5,7,12H2,1-4H3
InChIKeyXLAJFFBDAVFNDI-UHFFFAOYSA-N
XLogP1.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-methoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine (CID 102652214) is 1-(2,3-dihydrofuran-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine is COC(C(N)C1=CCCO1)C(C)(C)C.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine?
The InChIKey is XLAJFFBDAVFNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)10(13-4)9(12)8-6-5-7-14-8/h6,9-10H,5,7,12H2,1-4H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine?
1-(2,3-dihydrofuran-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.68, 3 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-methoxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 102652214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).