N-[2-(5-bromo-7-chloro-1-benzofuran-3-yl)ethyl]cyclopropanamine

C13H13BrClNO — CID 81049197

IUPACN-[2-(5-bromo-7-chloro-1-benzofuran-3-yl)ethyl]cyclopropanamine
SMILESClc1cc(Br)cc2c(CCNC3CC3)coc12
InChIInChI=1S/C13H13BrClNO/c14-9-5-11-8(3-4-16-10-1-2-10)7-17-13(11)12(15)6-9/h5-7,10,16H,1-4H2
InChIKeyCMCIQQRXOURVCS-UHFFFAOYSA-N
MW314.61 g/mol
LogP4.14
Rot. Bonds4

About N-[2-(5-bromo-7-chloro-1-benzofuran-3-yl)ethyl]cyclopropanamine

N-[2-(5-bromo-7-chloro-1-benzofuran-3-yl)ethyl]cyclopropanamine (PubChem CID 81049197) has the molecular formula C13H13BrClNO and a molecular weight of 314.61 g/mol. Its IUPAC name is N-[2-(5-bromo-7-chloro-1-benzofuran-3-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5-bromo-7-chloro-1-benzofuran-3-yl)ethyl]cyclopropanamine
PubChem CID81049197
Molecular FormulaC13H13BrClNO
Molecular Weight314.61 g/mol
Exact Mass312.99
IUPAC NameN-[2-(5-bromo-7-chloro-1-benzofuran-3-yl)ethyl]cyclopropanamine
SMILESClc1cc(Br)cc2c(CCNC3CC3)coc12
InChIInChI=1S/C13H13BrClNO/c14-9-5-11-8(3-4-16-10-1-2-10)7-17-13(11)12(15)6-9/h5-7,10,16H,1-4H2
InChIKeyCMCIQQRXOURVCS-UHFFFAOYSA-N
XLogP4.14
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-7-methyl-1-benzofuran-3-yl)ethyl]cyclopropanamine
CID 81049360
2-(7-chloro-5-methyl-1-benzofuran-3-yl)-N-methylethanamine
CID 81049955
N-[2-(7-phenyl-1-benzofuran-3-yl)ethyl]cyclopropanamine
CID 81041058
N'-[(4-bromo-2-chlorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409176
N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
CID 60984566
N-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine
CID 107669916
N-[4-(4-bromo-2-chlorophenoxy)butyl]cyclopropanamine
CID 62485655
N-[2-(4,6-dimethyl-1-benzofuran-3-yl)ethyl]cyclopropanamine
CID 81047329
4-bromo-2,6-dichloro-N-cyclopropylaniline
CID 103438876
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine
CID 96661815
N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine
CID 115688940
N-[(4-bromo-2-chlorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115652022

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-7-chloro-1-benzofuran-3-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(5-bromo-7-chloro-1-benzofuran-3-yl)ethyl]cyclopropanamine (CID 81049197) is N-[2-(5-bromo-7-chloro-1-benzofuran-3-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(5-bromo-7-chloro-1-benzofuran-3-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(5-bromo-7-chloro-1-benzofuran-3-yl)ethyl]cyclopropanamine is Clc1cc(Br)cc2c(CCNC3CC3)coc12.
What is the InChIKey of N-[2-(5-bromo-7-chloro-1-benzofuran-3-yl)ethyl]cyclopropanamine?
The InChIKey is CMCIQQRXOURVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO/c14-9-5-11-8(3-4-16-10-1-2-10)7-17-13(11)12(15)6-9/h5-7,10,16H,1-4H2.
What are the key properties of N-[2-(5-bromo-7-chloro-1-benzofuran-3-yl)ethyl]cyclopropanamine?
N-[2-(5-bromo-7-chloro-1-benzofuran-3-yl)ethyl]cyclopropanamine has a molecular weight of 314.61 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-7-chloro-1-benzofuran-3-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 81049197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).