2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol

C11H18ClNO2 — CID 62517681

IUPAC2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NCc1ccc(Cl)o1
InChIInChI=1S/C11H18ClNO2/c1-3-11(4-2,8-14)13-7-9-5-6-10(12)15-9/h5-6,13-14H,3-4,7-8H2,1-2H3
InChIKeyHVRTVAQVSJZHAX-UHFFFAOYSA-N
MW231.72 g/mol
LogP2.57
Rot. Bonds6

About 2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol

2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol (PubChem CID 62517681) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is 2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol
PubChem CID62517681
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NCc1ccc(Cl)o1
InChIInChI=1S/C11H18ClNO2/c1-3-11(4-2,8-14)13-7-9-5-6-10(12)15-9/h5-6,13-14H,3-4,7-8H2,1-2H3
InChIKeyHVRTVAQVSJZHAX-UHFFFAOYSA-N
XLogP2.57
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol (CID 62517681) is 2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol is CCC(CC)(CO)NCc1ccc(Cl)o1.
What is the InChIKey of 2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol?
The InChIKey is HVRTVAQVSJZHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2/c1-3-11(4-2,8-14)13-7-9-5-6-10(12)15-9/h5-6,13-14H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol?
2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol has a molecular weight of 231.72 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol is sourced from PubChem (CID 62517681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).