1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol

C11H19NO2 — CID 115623530

IUPAC1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)CNCc1ccco1
InChIInChI=1S/C11H19NO2/c1-11(2,3)10(13)8-12-7-9-5-4-6-14-9/h4-6,10,12-13H,7-8H2,1-3H3
InChIKeySFTIRSPIMMJZLA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.78
Rot. Bonds4

About 1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol

1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol (PubChem CID 115623530) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol
PubChem CID115623530
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)CNCc1ccco1
InChIInChI=1S/C11H19NO2/c1-11(2,3)10(13)8-12-7-9-5-4-6-14-9/h4-6,10,12-13H,7-8H2,1-3H3
InChIKeySFTIRSPIMMJZLA-UHFFFAOYSA-N
XLogP1.78
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol 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

1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 2738628
(2R)-1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 7221655
1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol
CID 115763817
1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol
CID 112501576
5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol
CID 111467857
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
3-(furan-2-ylmethylamino)-3-methylbutan-2-ol
CID 115866780
2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 60901127
3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol
CID 3063265
N-(furan-2-ylmethyl)-2,2-diphenylethanamine
CID 103603203
1-(furan-2-yl)-3-[(2-hydroxy-3,3-dimethylbutyl)amino]propan-1-one
CID 70926804
2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol
CID 82314079

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol (CID 115623530) is 1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)CNCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol?
The InChIKey is SFTIRSPIMMJZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)10(13)8-12-7-9-5-4-6-14-9/h4-6,10,12-13H,7-8H2,1-3H3.
What are the key properties of 1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol?
1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 115623530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).