N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine

C16H14ClNO2 — CID 6473076

IUPACN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESClc1ccccc1-c1ccc(CNCc2ccco2)o1
InChIInChI=1S/C16H14ClNO2/c17-15-6-2-1-5-14(15)16-8-7-13(20-16)11-18-10-12-4-3-9-19-12/h1-9,18H,10-11H2
InChIKeyIUSUEFVMMWQTPF-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.48
Rot. Bonds5

About N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine

N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine (PubChem CID 6473076) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
PubChem CID6473076
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESClc1ccccc1-c1ccc(CNCc2ccco2)o1
InChIInChI=1S/C16H14ClNO2/c17-15-6-2-1-5-14(15)16-8-7-13(20-16)11-18-10-12-4-3-9-19-12/h1-9,18H,10-11H2
InChIKeyIUSUEFVMMWQTPF-UHFFFAOYSA-N
XLogP4.48
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723490
4-chloro-3-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]benzoic acid
CID 17212980
1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
CID 6473590
2-[2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17056570
3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 102536585
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 6471479
N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-(furan-2-yl)methanamine
CID 56669398
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723536
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 78895208
[5-(2-chlorophenyl)furan-2-yl]methanol
CID 4796268
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine
CID 4724269
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17056556

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine (CID 6473076) is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine is Clc1ccccc1-c1ccc(CNCc2ccco2)o1.
What is the InChIKey of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine?
The InChIKey is IUSUEFVMMWQTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-15-6-2-1-5-14(15)16-8-7-13(20-16)11-18-10-12-4-3-9-19-12/h1-9,18H,10-11H2.
What are the key properties of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine?
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine has a molecular weight of 287.75 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 6473076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).