N-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine

C11H12ClNO2 — CID 60664542

IUPACN-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine
SMILESClc1ccc(CNCCc2ccco2)o1
InChIInChI=1S/C11H12ClNO2/c12-11-4-3-10(15-11)8-13-6-5-9-2-1-7-14-9/h1-4,7,13H,5-6,8H2
InChIKeyYOHNMKQPLJFJSF-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.86
Rot. Bonds5

About N-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine

N-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine (PubChem CID 60664542) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine
PubChem CID60664542
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine
SMILESClc1ccc(CNCCc2ccco2)o1
InChIInChI=1S/C11H12ClNO2/c12-11-4-3-10(15-11)8-13-6-5-9-2-1-7-14-9/h1-4,7,13H,5-6,8H2
InChIKeyYOHNMKQPLJFJSF-UHFFFAOYSA-N
XLogP2.86
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine
CID 65315812
N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380
2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 43395358
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine
CID 60658982
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine
CID 103701651
N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63831322
2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66408059
2-(furan-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 43395504
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 60695369
N-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine
CID 54907341
2-(furan-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 43662572

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine (CID 60664542) is N-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine is Clc1ccc(CNCCc2ccco2)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine?
The InChIKey is YOHNMKQPLJFJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-11-4-3-10(15-11)8-13-6-5-9-2-1-7-14-9/h1-4,7,13H,5-6,8H2.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine?
N-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine has a molecular weight of 225.68 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 60664542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).