1-[3-(3-chlorophenyl)furan-2-yl]-N-[[3-(3-chlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride

C22H18Cl3NO2 — CID 70624980

IUPAC1-[3-(3-chlorophenyl)furan-2-yl]-N-[[3-(3-chlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
SMILESCl.Clc1cccc(-c2ccoc2CNCc2occc2-c2cccc(Cl)c2)c1
InChIInChI=1S/C22H17Cl2NO2.ClH/c23-17-5-1-3-15(11-17)19-7-9-26-21(19)13-25-14-22-20(8-10-27-22)16-4-2-6-18(24)12-16;/h1-12,25H,13-14H2;1H
InChIKeySOXPYRYWJYEREK-UHFFFAOYSA-N
MW434.75 g/mol
LogP7.22
Rot. Bonds6

About 1-[3-(3-chlorophenyl)furan-2-yl]-N-[[3-(3-chlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride

1-[3-(3-chlorophenyl)furan-2-yl]-N-[[3-(3-chlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride (PubChem CID 70624980) has the molecular formula C22H18Cl3NO2 and a molecular weight of 434.75 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)furan-2-yl]-N-[[3-(3-chlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)furan-2-yl]-N-[[3-(3-chlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
PubChem CID70624980
Molecular FormulaC22H18Cl3NO2
Molecular Weight434.75 g/mol
Exact Mass433.04
IUPAC Name1-[3-(3-chlorophenyl)furan-2-yl]-N-[[3-(3-chlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
SMILESCl.Clc1cccc(-c2ccoc2CNCc2occc2-c2cccc(Cl)c2)c1
InChIInChI=1S/C22H17Cl2NO2.ClH/c23-17-5-1-3-15(11-17)19-7-9-26-21(19)13-25-14-22-20(8-10-27-22)16-4-2-6-18(24)12-16;/h1-12,25H,13-14H2;1H
InChIKeySOXPYRYWJYEREK-UHFFFAOYSA-N
XLogP7.22
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.75
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)furan-2-yl]-N-[[3-(3-chlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride?
The IUPAC name of 1-[3-(3-chlorophenyl)furan-2-yl]-N-[[3-(3-chlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride (CID 70624980) is 1-[3-(3-chlorophenyl)furan-2-yl]-N-[[3-(3-chlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-[3-(3-chlorophenyl)furan-2-yl]-N-[[3-(3-chlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride?
The canonical SMILES for 1-[3-(3-chlorophenyl)furan-2-yl]-N-[[3-(3-chlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride is Cl.Clc1cccc(-c2ccoc2CNCc2occc2-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-[3-(3-chlorophenyl)furan-2-yl]-N-[[3-(3-chlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride?
The InChIKey is SOXPYRYWJYEREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO2.ClH/c23-17-5-1-3-15(11-17)19-7-9-26-21(19)13-25-14-22-20(8-10-27-22)16-4-2-6-18(24)12-16;/h1-12,25H,13-14H2;1H.
What are the key properties of 1-[3-(3-chlorophenyl)furan-2-yl]-N-[[3-(3-chlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride?
1-[3-(3-chlorophenyl)furan-2-yl]-N-[[3-(3-chlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride has a molecular weight of 434.75 g/mol, XLogP of 7.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)furan-2-yl]-N-[[3-(3-chlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride is sourced from PubChem (CID 70624980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).