1-(5-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine

C12H11BrClNO — CID 105029176

IUPAC1-(5-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine
SMILESNC(Cc1ccco1)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H11BrClNO/c13-8-3-4-11(14)10(6-8)12(15)7-9-2-1-5-16-9/h1-6,12H,7,15H2
InChIKeyPMDZNSOKAHKDRX-UHFFFAOYSA-N
MW300.58 g/mol
LogP3.94
Rot. Bonds3

About 1-(5-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine

1-(5-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine (PubChem CID 105029176) has the molecular formula C12H11BrClNO and a molecular weight of 300.58 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine
PubChem CID105029176
Molecular FormulaC12H11BrClNO
Molecular Weight300.58 g/mol
Exact Mass298.97
IUPAC Name1-(5-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine
SMILESNC(Cc1ccco1)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H11BrClNO/c13-8-3-4-11(14)10(6-8)12(15)7-9-2-1-5-16-9/h1-6,12H,7,15H2
InChIKeyPMDZNSOKAHKDRX-UHFFFAOYSA-N
XLogP3.94
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.58
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine
CID 105029387
1-(6-bromonaphthalen-2-yl)-2-(furan-2-yl)ethanamine
CID 105029613
1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine
CID 83175328
1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841430
1-(5-bromo-2-chlorophenyl)propan-1-amine
CID 83988605
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride
CID 171203975
1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine
CID 107985336
1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine
CID 105034465
3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 84711249
(3R)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 130740189
1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine
CID 83988607

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine (CID 105029176) is 1-(5-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine is NC(Cc1ccco1)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine?
The InChIKey is PMDZNSOKAHKDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO/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-(5-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine?
1-(5-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine has a molecular weight of 300.58 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 105029176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).