1-(5-methylfuran-2-yl)-2-[[(1R,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]amino]ethanol

C16H25NO2 — CID 166304176

IUPAC1-(5-methylfuran-2-yl)-2-[[(1R,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]amino]ethanol
SMILESCc1ccc(C(O)CNC2CC[C@@]3(C(C)C)C[C@@H]23)o1
InChIInChI=1S/C16H25NO2/c1-10(2)16-7-6-13(12(16)8-16)17-9-14(18)15-5-4-11(3)19-15/h4-5,10,12-14,17-18H,6-9H2,1-3H3/t12-,13?,14?,16-/m0/s1
InChIKeyCPIBAJUNQRGZSH-USPMSXPRSA-N
MW263.38 g/mol
LogP3.04
Rot. Bonds5

About 1-(5-methylfuran-2-yl)-2-[[(1R,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]amino]ethanol

1-(5-methylfuran-2-yl)-2-[[(1R,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]amino]ethanol (PubChem CID 166304176) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-2-[[(1R,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]amino]ethanol.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-2-[[(1R,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]amino]ethanol
PubChem CID166304176
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(5-methylfuran-2-yl)-2-[[(1R,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]amino]ethanol
SMILESCc1ccc(C(O)CNC2CC[C@@]3(C(C)C)C[C@@H]23)o1
InChIInChI=1S/C16H25NO2/c1-10(2)16-7-6-13(12(16)8-16)17-9-14(18)15-5-4-11(3)19-15/h4-5,10,12-14,17-18H,6-9H2,1-3H3/t12-,13?,14?,16-/m0/s1
InChIKeyCPIBAJUNQRGZSH-USPMSXPRSA-N
XLogP3.04
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-methylfuran-2-yl)-2-[[(1R,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-2-[[(1R,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]amino]ethanol?
The IUPAC name of 1-(5-methylfuran-2-yl)-2-[[(1R,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]amino]ethanol (CID 166304176) is 1-(5-methylfuran-2-yl)-2-[[(1R,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]amino]ethanol.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-2-[[(1R,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]amino]ethanol?
The canonical SMILES for 1-(5-methylfuran-2-yl)-2-[[(1R,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]amino]ethanol is Cc1ccc(C(O)CNC2CC[C@@]3(C(C)C)C[C@@H]23)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-2-[[(1R,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]amino]ethanol?
The InChIKey is CPIBAJUNQRGZSH-USPMSXPRSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10(2)16-7-6-13(12(16)8-16)17-9-14(18)15-5-4-11(3)19-15/h4-5,10,12-14,17-18H,6-9H2,1-3H3/t12-,13?,14?,16-/m0/s1.
What are the key properties of 1-(5-methylfuran-2-yl)-2-[[(1R,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]amino]ethanol?
1-(5-methylfuran-2-yl)-2-[[(1R,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]amino]ethanol has a molecular weight of 263.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-2-[[(1R,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]amino]ethanol is sourced from PubChem (CID 166304176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).