1-[2-(7-chloro-1-benzofuran-2-yl)ethyl]cyclopropan-1-amine

C13H14ClNO — CID 105497156

IUPAC1-[2-(7-chloro-1-benzofuran-2-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2cc3cccc(Cl)c3o2)CC1
InChIInChI=1S/C13H14ClNO/c14-11-3-1-2-9-8-10(16-12(9)11)4-5-13(15)6-7-13/h1-3,8H,4-7,15H2
InChIKeyRLKCJXPMJSNOOJ-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.51
Rot. Bonds3

About 1-[2-(7-chloro-1-benzofuran-2-yl)ethyl]cyclopropan-1-amine

1-[2-(7-chloro-1-benzofuran-2-yl)ethyl]cyclopropan-1-amine (PubChem CID 105497156) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 1-[2-(7-chloro-1-benzofuran-2-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(7-chloro-1-benzofuran-2-yl)ethyl]cyclopropan-1-amine
PubChem CID105497156
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name1-[2-(7-chloro-1-benzofuran-2-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2cc3cccc(Cl)c3o2)CC1
InChIInChI=1S/C13H14ClNO/c14-11-3-1-2-9-8-10(16-12(9)11)4-5-13(15)6-7-13/h1-3,8H,4-7,15H2
InChIKeyRLKCJXPMJSNOOJ-UHFFFAOYSA-N
XLogP3.51
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-chloro-1-benzofuran-2-yl)methanamine
CID 65441087
3-(7-chloro-1-benzofuran-2-yl)propanal
CID 114733142
1-[2-(2-methyl-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine
CID 105468832
7-chloro-2-(isocyanomethyl)-1-benzofuran
CID 83484072
1-(7-chloro-1-benzofuran-2-yl)propan-2-amine
CID 114735430
1-[(7-chloro-1-benzofuran-2-yl)methyl]azepane
CID 117182733
1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine
CID 115004527
1-[(5-chlorofuran-2-yl)methyl]cyclopropan-1-amine
CID 83682936
1-(2-naphthalen-1-ylethyl)cyclopropan-1-amine
CID 23106129
3-(7-chloro-1-benzofuran-2-yl)-3-fluoroazetidine
CID 114736013
1-[2-(5,6-dihydro-4H-cyclopenta[b]furan-2-yl)ethyl]cyclopropan-1-amine
CID 105445477
(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-chloro-1-benzofuran-2-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(7-chloro-1-benzofuran-2-yl)ethyl]cyclopropan-1-amine (CID 105497156) is 1-[2-(7-chloro-1-benzofuran-2-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(7-chloro-1-benzofuran-2-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(7-chloro-1-benzofuran-2-yl)ethyl]cyclopropan-1-amine is NC1(CCc2cc3cccc(Cl)c3o2)CC1.
What is the InChIKey of 1-[2-(7-chloro-1-benzofuran-2-yl)ethyl]cyclopropan-1-amine?
The InChIKey is RLKCJXPMJSNOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c14-11-3-1-2-9-8-10(16-12(9)11)4-5-13(15)6-7-13/h1-3,8H,4-7,15H2.
What are the key properties of 1-[2-(7-chloro-1-benzofuran-2-yl)ethyl]cyclopropan-1-amine?
1-[2-(7-chloro-1-benzofuran-2-yl)ethyl]cyclopropan-1-amine has a molecular weight of 235.71 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-chloro-1-benzofuran-2-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105497156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).