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

C14H16ClNO — CID 81049360

IUPACN-[2-(5-chloro-7-methyl-1-benzofuran-3-yl)ethyl]cyclopropanamine
SMILESCc1cc(Cl)cc2c(CCNC3CC3)coc12
InChIInChI=1S/C14H16ClNO/c1-9-6-11(15)7-13-10(8-17-14(9)13)4-5-16-12-2-3-12/h6-8,12,16H,2-5H2,1H3
InChIKeyFWDINAKMPSURDD-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.69
Rot. Bonds4

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

N-[2-(5-chloro-7-methyl-1-benzofuran-3-yl)ethyl]cyclopropanamine (PubChem CID 81049360) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is N-[2-(5-chloro-7-methyl-1-benzofuran-3-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5-chloro-7-methyl-1-benzofuran-3-yl)ethyl]cyclopropanamine
PubChem CID81049360
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC NameN-[2-(5-chloro-7-methyl-1-benzofuran-3-yl)ethyl]cyclopropanamine
SMILESCc1cc(Cl)cc2c(CCNC3CC3)coc12
InChIInChI=1S/C14H16ClNO/c1-9-6-11(15)7-13-10(8-17-14(9)13)4-5-16-12-2-3-12/h6-8,12,16H,2-5H2,1H3
InChIKeyFWDINAKMPSURDD-UHFFFAOYSA-N
XLogP3.69
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromo-7-chloro-1-benzofuran-3-yl)ethyl]cyclopropanamine
CID 81049197
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine
CID 96661815
N-[2-(4,6-dimethyl-1-benzofuran-3-yl)ethyl]cyclopropanamine
CID 81047329
2-(7-bromo-5-chloro-1-benzofuran-3-yl)-N-ethylethanamine
CID 81049412
N-[2-(7-phenyl-1-benzofuran-3-yl)ethyl]cyclopropanamine
CID 81041058
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine
CID 82475603
N-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine
CID 107669916
N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
CID 106818906
N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine
CID 55181878
N-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine
CID 117177526
2-(7-chloro-5-methyl-1-benzofuran-3-yl)-N-methylethanamine
CID 81049955
N-[2-[2-(5-chloro-4-methylthiophen-2-yl)ethoxy]ethyl]cyclopropanamine
CID 102765255

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-7-methyl-1-benzofuran-3-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(5-chloro-7-methyl-1-benzofuran-3-yl)ethyl]cyclopropanamine (CID 81049360) is N-[2-(5-chloro-7-methyl-1-benzofuran-3-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(5-chloro-7-methyl-1-benzofuran-3-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(5-chloro-7-methyl-1-benzofuran-3-yl)ethyl]cyclopropanamine is Cc1cc(Cl)cc2c(CCNC3CC3)coc12.
What is the InChIKey of N-[2-(5-chloro-7-methyl-1-benzofuran-3-yl)ethyl]cyclopropanamine?
The InChIKey is FWDINAKMPSURDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-9-6-11(15)7-13-10(8-17-14(9)13)4-5-16-12-2-3-12/h6-8,12,16H,2-5H2,1H3.
What are the key properties of N-[2-(5-chloro-7-methyl-1-benzofuran-3-yl)ethyl]cyclopropanamine?
N-[2-(5-chloro-7-methyl-1-benzofuran-3-yl)ethyl]cyclopropanamine has a molecular weight of 249.74 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-7-methyl-1-benzofuran-3-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 81049360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).