2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol

C12H21NO2 — CID 115646640

IUPAC2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol
SMILESCc1ccc(C(O)CNCC(C)(C)C)o1
InChIInChI=1S/C12H21NO2/c1-9-5-6-11(15-9)10(14)7-13-8-12(2,3)4/h5-6,10,13-14H,7-8H2,1-4H3
InChIKeyGOOVEDZCHSEUDJ-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.26
Rot. Bonds4

About 2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol

2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol (PubChem CID 115646640) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol
PubChem CID115646640
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol
SMILESCc1ccc(C(O)CNCC(C)(C)C)o1
InChIInChI=1S/C12H21NO2/c1-9-5-6-11(15-9)10(14)7-13-8-12(2,3)4/h5-6,10,13-14H,7-8H2,1-4H3
InChIKeyGOOVEDZCHSEUDJ-UHFFFAOYSA-N
XLogP2.26
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylmethylamino)-1-(5-methylfuran-2-yl)ethanol
CID 115907721
tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate
CID 116861139
1-(5-methylfuran-2-yl)propan-1-ol
CID 14570731
1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol
CID 115907720
2-(1-cyclopropylethylamino)-1-(5-methylfuran-2-yl)ethanol
CID 115677292
1-(5-methylfuran-2-yl)butane-1,4-diol
CID 116861366
2-(1-ethoxypropan-2-ylamino)-1-(5-methylfuran-2-yl)ethanol
CID 115723342
4-amino-1-(5-methylfuran-2-yl)butan-1-ol
CID 82412823
(1R)-4-bromo-1-(5-methylfuran-2-yl)butan-1-ol
CID 125492717
1-(5-methylfuran-2-yl)-2-(oxolan-3-ylamino)ethanol
CID 115689533
4-[[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]amino]-1H-pyrimidin-6-one
CID 166257254
2-amino-2-methyl-1-(5-methylfuran-2-yl)propan-1-ol
CID 82412815

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol?
The IUPAC name of 2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol (CID 115646640) is 2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol.
What is the SMILES notation for 2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol?
The canonical SMILES for 2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol is Cc1ccc(C(O)CNCC(C)(C)C)o1.
What is the InChIKey of 2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol?
The InChIKey is GOOVEDZCHSEUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-5-6-11(15-9)10(14)7-13-8-12(2,3)4/h5-6,10,13-14H,7-8H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol?
2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol has a molecular weight of 211.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol is sourced from PubChem (CID 115646640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).