1-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine

C12H11Cl2NO — CID 105029387

IUPAC1-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine
SMILESNC(Cc1ccco1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H11Cl2NO/c13-8-3-4-11(14)10(6-8)12(15)7-9-2-1-5-16-9/h1-6,12H,7,15H2
InChIKeyFGGIQSOJUBCZTQ-UHFFFAOYSA-N
MW256.13 g/mol
LogP3.83
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine

1-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine (PubChem CID 105029387) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine
PubChem CID105029387
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name1-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine
SMILESNC(Cc1ccco1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H11Cl2NO/c13-8-3-4-11(14)10(6-8)12(15)7-9-2-1-5-16-9/h1-6,12H,7,15H2
InChIKeyFGGIQSOJUBCZTQ-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-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine
CID 105029176
1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine
CID 83175328
(1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine
CID 131122702
2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 115841631
2-(furan-2-yl)-1-(2-iodophenyl)ethanamine
CID 105029496
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
1-(2,5-dimethylfuran-3-yl)-2-(furan-2-yl)ethanamine
CID 105029404
1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43344680
1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105173645
(1S)-1-(2,5-dichlorophenyl)propan-1-amine
CID 26342063
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560
2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63412142

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine (CID 105029387) is 1-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine is NC(Cc1ccco1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine?
The InChIKey is FGGIQSOJUBCZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c13-8-3-4-11(14)10(6-8)12(15)7-9-2-1-5-16-9/h1-6,12H,7,15H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine?
1-(2,5-dichlorophenyl)-2-(furan-2-yl)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-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 105029387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).