4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol

C14H21NO2 — CID 113315107

IUPAC4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol
SMILESOC1CCC(NC2CCCc3occc32)CC1
InChIInChI=1S/C14H21NO2/c16-11-6-4-10(5-7-11)15-13-2-1-3-14-12(13)8-9-17-14/h8-11,13,15-16H,1-7H2
InChIKeyDJRLIEOOAWSVAW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.55
Rot. Bonds2

About 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol

4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol (PubChem CID 113315107) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol
PubChem CID113315107
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol
SMILESOC1CCC(NC2CCCc3occc32)CC1
InChIInChI=1S/C14H21NO2/c16-11-6-4-10(5-7-11)15-13-2-1-3-14-12(13)8-9-17-14/h8-11,13,15-16H,1-7H2
InChIKeyDJRLIEOOAWSVAW-UHFFFAOYSA-N
XLogP2.55
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 64724815
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrrolidin-3-amine
CID 79725054
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidin-2-one
CID 106184665
8-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131794
1-propyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperidin-4-amine
CID 43208258
1-propyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)azepan-4-amine
CID 65074136
N-(2-methylcycloheptyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315213
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide
CID 64990494
N-[3-(2-methylpropyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 107428026
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466591
N-cyclopentyloxy-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 83229241
N-(2-methylsulfanylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103777363

Frequently Asked Questions

What is the IUPAC name of 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol?
The IUPAC name of 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol (CID 113315107) is 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol is OC1CCC(NC2CCCc3occc32)CC1.
What is the InChIKey of 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol?
The InChIKey is DJRLIEOOAWSVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-11-6-4-10(5-7-11)15-13-2-1-3-14-12(13)8-9-17-14/h8-11,13,15-16H,1-7H2.
What are the key properties of 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol?
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 113315107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).