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

C16H23NO — CID 43756029

IUPACN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
SMILESCC(NC1CCCCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H23NO/c1-12(17-15-5-3-2-4-6-15)13-7-8-16-14(11-13)9-10-18-16/h7-8,11-12,15,17H,2-6,9-10H2,1H3
InChIKeyIPSKAQCXWFMHSQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.60
Rot. Bonds3

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

N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine (PubChem CID 43756029) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
PubChem CID43756029
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
SMILESCC(NC1CCCCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H23NO/c1-12(17-15-5-3-2-4-6-15)13-7-8-16-14(11-13)9-10-18-16/h7-8,11-12,15,17H,2-6,9-10H2,1H3
InChIKeyIPSKAQCXWFMHSQ-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
CID 43754666
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
2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 54894336
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79861502
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine
CID 43189952
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine
CID 43094735
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine
CID 43190395
(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406233
2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 83154976
cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65018642

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine (CID 43756029) is N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine is CC(NC1CCCCC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine?
The InChIKey is IPSKAQCXWFMHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(17-15-5-3-2-4-6-15)13-7-8-16-14(11-13)9-10-18-16/h7-8,11-12,15,17H,2-6,9-10H2,1H3.
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine?
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine has a molecular weight of 245.37 g/mol, XLogP of 3.60, 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]cyclohexanamine is sourced from PubChem (CID 43756029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).