1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cycloheptan-1-ol

C16H25NO2 — CID 115466533

IUPAC1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNC2CCCc3occc32)CCCCCC1
InChIInChI=1S/C16H25NO2/c18-16(9-3-1-2-4-10-16)12-17-14-6-5-7-15-13(14)8-11-19-15/h8,11,14,17-18H,1-7,9-10,12H2
InChIKeyFBPYEJUYYVBYAC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.33
Rot. Bonds3

About 1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cycloheptan-1-ol

1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cycloheptan-1-ol (PubChem CID 115466533) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cycloheptan-1-ol
PubChem CID115466533
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNC2CCCc3occc32)CCCCCC1
InChIInChI=1S/C16H25NO2/c18-16(9-3-1-2-4-10-16)12-17-14-6-5-7-15-13(14)8-11-19-15/h8,11,14,17-18H,1-7,9-10,12H2
InChIKeyFBPYEJUYYVBYAC-UHFFFAOYSA-N
XLogP3.33
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cycloheptan-1-ol (CID 115466533) is 1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cycloheptan-1-ol is OC1(CNC2CCCc3occc32)CCCCCC1.
What is the InChIKey of 1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cycloheptan-1-ol?
The InChIKey is FBPYEJUYYVBYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c18-16(9-3-1-2-4-10-16)12-17-14-6-5-7-15-13(14)8-11-19-15/h8,11,14,17-18H,1-7,9-10,12H2.
What are the key properties of 1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cycloheptan-1-ol?
1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cycloheptan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 115466533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).