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

C18H26ClNO — CID 65445563

IUPACN-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
SMILESClCCN(CCc1ccc2c(c1)CCO2)C1CCCCC1
InChIInChI=1S/C18H26ClNO/c19-10-12-20(17-4-2-1-3-5-17)11-8-15-6-7-18-16(14-15)9-13-21-18/h6-7,14,17H,1-5,8-13H2
InChIKeyCLYZQAFGDYJTNM-UHFFFAOYSA-N
MW307.87 g/mol
LogP4.04
Rot. Bonds6

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

N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine (PubChem CID 65445563) has the molecular formula C18H26ClNO and a molecular weight of 307.87 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
PubChem CID65445563
Molecular FormulaC18H26ClNO
Molecular Weight307.87 g/mol
Exact Mass307.17
IUPAC NameN-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
SMILESClCCN(CCc1ccc2c(c1)CCO2)C1CCCCC1
InChIInChI=1S/C18H26ClNO/c19-10-12-20(17-4-2-1-3-5-17)11-8-15-6-7-18-16(14-15)9-13-21-18/h6-7,14,17H,1-5,8-13H2
InChIKeyCLYZQAFGDYJTNM-UHFFFAOYSA-N
XLogP4.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol
CID 65445174
2-[cyclobutyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol
CID 102676649
2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]acetonitrile
CID 65446365
4-[cyclopropyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]butan-1-ol
CID 111488244
N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pentan-3-amine
CID 65445941
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran
CID 65443648
2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
CID 114794918
4-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79117319
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)acetamide
CID 71933671
1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
CID 114974294
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106635582

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine?
The IUPAC name of N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine (CID 65445563) is N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine is ClCCN(CCc1ccc2c(c1)CCO2)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine?
The InChIKey is CLYZQAFGDYJTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c19-10-12-20(17-4-2-1-3-5-17)11-8-15-6-7-18-16(14-15)9-13-21-18/h6-7,14,17H,1-5,8-13H2.
What are the key properties of N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine?
N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine has a molecular weight of 307.87 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine is sourced from PubChem (CID 65445563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).