1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine

C12H11Cl2NO — CID 106687882

IUPAC1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1)c1ccc(Cl)o1
InChIInChI=1S/C12H11Cl2NO/c13-9-3-1-2-8(6-9)7-10(15)11-4-5-12(14)16-11/h1-6,10H,7,15H2
InChIKeyVNOFAHCFJSWDDN-UHFFFAOYSA-N
MW256.13 g/mol
LogP3.83
Rot. Bonds3

About 1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine

1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine (PubChem CID 106687882) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine
PubChem CID106687882
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1)c1ccc(Cl)o1
InChIInChI=1S/C12H11Cl2NO/c13-9-3-1-2-8(6-9)7-10(15)11-4-5-12(14)16-11/h1-6,10H,7,15H2
InChIKeyVNOFAHCFJSWDDN-UHFFFAOYSA-N
XLogP3.83
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)ethanamine
CID 106692129
1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethanamine
CID 106692144
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
2-(3-chlorophenyl)-1-thiophen-2-ylethanamine;hydrochloride
CID 3061996
2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704483
1-(2-bromofuran-3-yl)-2-(3-chlorophenyl)ethanamine
CID 106854711
1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 106942201
1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 62504437
1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 64712457
2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 62505457
1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanamine
CID 62504605
1-(3-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931754

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine (CID 106687882) is 1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine is NC(Cc1cccc(Cl)c1)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine?
The InChIKey is VNOFAHCFJSWDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c13-9-3-1-2-8(6-9)7-10(15)11-4-5-12(14)16-11/h1-6,10H,7,15H2.
What are the key properties of 1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine?
1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine has a molecular weight of 256.13 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 106687882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).