3-[(2-tert-butylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol

C18H27NO2 — CID 43673932

IUPAC3-[(2-tert-butylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCC(C)(C)C1CCCCC1NC1COc2cc(O)ccc21
InChIInChI=1S/C18H27NO2/c1-18(2,3)14-6-4-5-7-15(14)19-16-11-21-17-10-12(20)8-9-13(16)17/h8-10,14-16,19-20H,4-7,11H2,1-3H3
InChIKeyGOMZIGNCRQJNIZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.02
Rot. Bonds2

About 3-[(2-tert-butylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol

3-[(2-tert-butylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 43673932) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[(2-tert-butylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[(2-tert-butylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID43673932
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-[(2-tert-butylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCC(C)(C)C1CCCCC1NC1COc2cc(O)ccc21
InChIInChI=1S/C18H27NO2/c1-18(2,3)14-6-4-5-7-15(14)19-16-11-21-17-10-12(20)8-9-13(16)17/h8-10,14-16,19-20H,4-7,11H2,1-3H3
InChIKeyGOMZIGNCRQJNIZ-UHFFFAOYSA-N
XLogP4.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43194977
3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62416499
3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43609955
3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 79861874
3-[(3,3-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 114544160
3-(cyclopentyloxyamino)-2,3-dihydro-1-benzofuran-6-ol
CID 83229034
3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43205194
3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43298363
3-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43206706
4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide
CID 43748903
3-[2-(4-bromophenyl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 43740842
3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 106145519

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[(2-tert-butylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol (CID 43673932) is 3-[(2-tert-butylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[(2-tert-butylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[(2-tert-butylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol is CC(C)(C)C1CCCCC1NC1COc2cc(O)ccc21.
What is the InChIKey of 3-[(2-tert-butylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is GOMZIGNCRQJNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2,3)14-6-4-5-7-15(14)19-16-11-21-17-10-12(20)8-9-13(16)17/h8-10,14-16,19-20H,4-7,11H2,1-3H3.
What are the key properties of 3-[(2-tert-butylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol?
3-[(2-tert-butylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 289.42 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 43673932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).