2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol

C10H18N2O2 — CID 116911635

IUPAC2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol
SMILESCc1ccc(C(C(N)CO)N(C)C)o1
InChIInChI=1S/C10H18N2O2/c1-7-4-5-9(14-7)10(12(2)3)8(11)6-13/h4-5,8,10,13H,6,11H2,1-3H3
InChIKeyARCCTTRUZOYATK-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.51
Rot. Bonds4

About 2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol

2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol (PubChem CID 116911635) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol
PubChem CID116911635
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol
SMILESCc1ccc(C(C(N)CO)N(C)C)o1
InChIInChI=1S/C10H18N2O2/c1-7-4-5-9(14-7)10(12(2)3)8(11)6-13/h4-5,8,10,13H,6,11H2,1-3H3
InChIKeyARCCTTRUZOYATK-UHFFFAOYSA-N
XLogP0.51
TPSA62.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol
CID 116957574
3-amino-2-(5-methylfuran-2-yl)propan-1-ol
CID 83682054
1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylfuran-2-yl)propane-1,2-diamine
CID 55225778
2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol
CID 102631497
(2S)-2-(5-methylfuran-2-yl)butan-1-ol
CID 58330576
N,N-dimethyl-1-(5-methylfuran-2-yl)propan-1-amine
CID 145352645
2-amino-3-(4-butan-2-ylphenyl)-3-(dimethylamino)propan-1-ol
CID 116911554
4-amino-3-(5-methylfuran-2-yl)hexan-1-ol
CID 66091484
(3R)-3-amino-2,2-difluoro-3-(5-methylfuran-2-yl)propan-1-ol
CID 130649581
2-chloro-N,N-dimethyl-1-(5-methylfuran-2-yl)ethanamine
CID 116907489
3-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]-N,2-dimethylpropanamide
CID 106914720
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol?
The IUPAC name of 2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol (CID 116911635) is 2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol is Cc1ccc(C(C(N)CO)N(C)C)o1.
What is the InChIKey of 2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol?
The InChIKey is ARCCTTRUZOYATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7-4-5-9(14-7)10(12(2)3)8(11)6-13/h4-5,8,10,13H,6,11H2,1-3H3.
What are the key properties of 2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol?
2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol has a molecular weight of 198.27 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol is sourced from PubChem (CID 116911635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).