(3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol

C11H19NO2 — CID 103871755

IUPAC(3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
SMILESCc1ccc(C(C)N[C@H](C)CCO)o1
InChIInChI=1S/C11H19NO2/c1-8(6-7-13)12-10(3)11-5-4-9(2)14-11/h4-5,8,10,12-13H,6-7H2,1-3H3/t8-,10?/m1/s1
InChIKeyZQZYIQIRBYKVIO-HNHGDDPOSA-N
MW197.28 g/mol
LogP2.01
Rot. Bonds5

About (3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol

(3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol (PubChem CID 103871755) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
PubChem CID103871755
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
SMILESCc1ccc(C(C)N[C@H](C)CCO)o1
InChIInChI=1S/C11H19NO2/c1-8(6-7-13)12-10(3)11-5-4-9(2)14-11/h4-5,8,10,12-13H,6-7H2,1-3H3/t8-,10?/m1/s1
InChIKeyZQZYIQIRBYKVIO-HNHGDDPOSA-N
XLogP2.01
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol
CID 97051651
(3R)-3-[1-(5-ethylfuran-2-yl)ethylamino]butan-1-ol
CID 103871772
4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol
CID 43685015
2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
CID 43207118
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine
CID 55150852
(2S)-4-hydroxy-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid
CID 107826832
tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate
CID 103388158
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
CID 83038809
(2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol
CID 97056665
(3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol
CID 103871723
(2R)-1-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103906700
(2R)-1-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]propan-2-ol
CID 93082108

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol?
The IUPAC name of (3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol (CID 103871755) is (3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for (3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for (3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol is Cc1ccc(C(C)N[C@H](C)CCO)o1.
What is the InChIKey of (3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol?
The InChIKey is ZQZYIQIRBYKVIO-HNHGDDPOSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(6-7-13)12-10(3)11-5-4-9(2)14-11/h4-5,8,10,12-13H,6-7H2,1-3H3/t8-,10?/m1/s1.
What are the key properties of (3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol?
(3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 103871755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).