1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine

C12H21NO2 — CID 116724444

IUPAC1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine
SMILESCNC(c1ccco1)C(OC)C(C)(C)C
InChIInChI=1S/C12H21NO2/c1-12(2,3)11(14-5)10(13-4)9-7-6-8-15-9/h6-8,10-11,13H,1-5H3
InChIKeyMGJZBHZLNPEZDZ-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.60
Rot. Bonds4

About 1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine

1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine (PubChem CID 116724444) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine
PubChem CID116724444
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine
SMILESCNC(c1ccco1)C(OC)C(C)(C)C
InChIInChI=1S/C12H21NO2/c1-12(2,3)11(14-5)10(13-4)9-7-6-8-15-9/h6-8,10-11,13H,1-5H3
InChIKeyMGJZBHZLNPEZDZ-UHFFFAOYSA-N
XLogP2.60
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 130589665
3-[2-methoxy-3,3-dimethyl-1-(methylamino)butyl]pyridin-4-amine
CID 116724573
2-methoxy-N,3,3-trimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-amine
CID 102755235
1-(furan-2-yl)-N,4,4-trimethylpentan-1-amine
CID 62717492
N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine
CID 115719150
2-(furan-2-yl)-3,3-dimethylbutanoic acid
CID 83817123
(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(furan-2-yl)-N,2-dimethylpropan-1-amine
CID 86718373
1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 106654510
N-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine
CID 79493173
methyl 2-(furan-2-yl)-2-methoxyacetate
CID 173192079
(1S,2S)-1-(furan-2-yl)-N,2-dimethyl-3-methylsulfonylpropan-1-amine
CID 90141020
4-(furan-2-yl)-N,5-dimethylhexan-2-amine
CID 44719969

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine (CID 116724444) is 1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine is CNC(c1ccco1)C(OC)C(C)(C)C.
What is the InChIKey of 1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine?
The InChIKey is MGJZBHZLNPEZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2,3)11(14-5)10(13-4)9-7-6-8-15-9/h6-8,10-11,13H,1-5H3.
What are the key properties of 1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine?
1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine has a molecular weight of 211.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 116724444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).