N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine

C18H27NO — CID 79861502

IUPACN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC(NC1CCCCC1(C)C)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H27NO/c1-13(19-17-6-4-5-10-18(17,2)3)14-7-8-16-15(12-14)9-11-20-16/h7-8,12-13,17,19H,4-6,9-11H2,1-3H3
InChIKeyKWAGBJUDOFCIEN-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.24
Rot. Bonds3

About N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine

N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 79861502) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID79861502
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC(NC1CCCCC1(C)C)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H27NO/c1-13(19-17-6-4-5-10-18(17,2)3)14-7-8-16-15(12-14)9-11-20-16/h7-8,12-13,17,19H,4-6,9-11H2,1-3H3
InChIKeyKWAGBJUDOFCIEN-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 43756029
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
CID 43754666
5-[chloro-(2,2-dimethylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 107181961
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine
CID 79860663
1-cyclohexyl-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 62405191
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine
CID 115714913
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61039770
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79870440
2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine
CID 79861249
2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol
CID 106828274
2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 83154976
3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol
CID 103785860

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine (CID 79861502) is N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine is CC(NC1CCCCC1(C)C)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is KWAGBJUDOFCIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13(19-17-6-4-5-10-18(17,2)3)14-7-8-16-15(12-14)9-11-20-16/h7-8,12-13,17,19H,4-6,9-11H2,1-3H3.
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine?
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79861502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).