N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine

C14H16ClNO — CID 82705158

IUPACN-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine
SMILESClc1oc2ccccc2c1CNCCC1CC1
InChIInChI=1S/C14H16ClNO/c15-14-12(9-16-8-7-10-5-6-10)11-3-1-2-4-13(11)17-14/h1-4,10,16H,5-9H2
InChIKeyCFEWVQXRPRMYPI-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.98
Rot. Bonds5

About N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine

N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine (PubChem CID 82705158) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine
PubChem CID82705158
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine
SMILESClc1oc2ccccc2c1CNCCC1CC1
InChIInChI=1S/C14H16ClNO/c15-14-12(9-16-8-7-10-5-6-10)11-3-1-2-4-13(11)17-14/h1-4,10,16H,5-9H2
InChIKeyCFEWVQXRPRMYPI-UHFFFAOYSA-N
XLogP3.98
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine?
The IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine (CID 82705158) is N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine.
What is the SMILES notation for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine?
The canonical SMILES for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine is Clc1oc2ccccc2c1CNCCC1CC1.
What is the InChIKey of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine?
The InChIKey is CFEWVQXRPRMYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c15-14-12(9-16-8-7-10-5-6-10)11-3-1-2-4-13(11)17-14/h1-4,10,16H,5-9H2.
What are the key properties of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine?
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine has a molecular weight of 249.74 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine is sourced from PubChem (CID 82705158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).