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

C13H13Cl2NO — CID 65315812

IUPACN-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine
SMILESClc1ccc(Cl)c(CNCCc2ccco2)c1
InChIInChI=1S/C13H13Cl2NO/c14-11-3-4-13(15)10(8-11)9-16-6-5-12-2-1-7-17-12/h1-4,7-8,16H,5-6,9H2
InChIKeyKWVXGZBHQXZLDI-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.92
Rot. Bonds5

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

N-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine (PubChem CID 65315812) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine
PubChem CID65315812
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine
SMILESClc1ccc(Cl)c(CNCCc2ccco2)c1
InChIInChI=1S/C13H13Cl2NO/c14-11-3-4-13(15)10(8-11)9-16-6-5-12-2-1-7-17-12/h1-4,7-8,16H,5-6,9H2
InChIKeyKWVXGZBHQXZLDI-UHFFFAOYSA-N
XLogP3.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.92
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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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 60695369
N-[(2-bromo-5-chlorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 66160828
N-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine
CID 60664542
2,5-dichloro-N-(furan-2-ylmethyl)aniline
CID 18778634
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine
CID 4723186
N-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine
CID 54907341
N-[(2,5-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115762676
5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)aniline
CID 114848828
6-[[2-(furan-2-yl)ethylamino]methyl]-1,3-benzodioxol-5-ol
CID 55012877
N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380
N-[(2,5-dichlorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103845009
2-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]ethanamine
CID 78942785

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine (CID 65315812) is N-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine is Clc1ccc(Cl)c(CNCCc2ccco2)c1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine?
The InChIKey is KWVXGZBHQXZLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO/c14-11-3-4-13(15)10(8-11)9-16-6-5-12-2-1-7-17-12/h1-4,7-8,16H,5-6,9H2.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine?
N-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine has a molecular weight of 270.16 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 65315812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).