N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-ethylcyclopropan-1-amine

C14H16ClNO — CID 113341551

IUPACN-[(2-chloro-1-benzofuran-3-yl)methyl]-2-ethylcyclopropan-1-amine
SMILESCCC1CC1NCc1c(Cl)oc2ccccc12
InChIInChI=1S/C14H16ClNO/c1-2-9-7-12(9)16-8-11-10-5-3-4-6-13(10)17-14(11)15/h3-6,9,12,16H,2,7-8H2,1H3
InChIKeyXITPJYXEKCMYDI-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.97
Rot. Bonds4

About N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-ethylcyclopropan-1-amine

N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-ethylcyclopropan-1-amine (PubChem CID 113341551) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-ethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-2-ethylcyclopropan-1-amine
PubChem CID113341551
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-2-ethylcyclopropan-1-amine
SMILESCCC1CC1NCc1c(Cl)oc2ccccc12
InChIInChI=1S/C14H16ClNO/c1-2-9-7-12(9)16-8-11-10-5-3-4-6-13(10)17-14(11)15/h3-6,9,12,16H,2,7-8H2,1H3
InChIKeyXITPJYXEKCMYDI-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-ethylcyclopropan-1-amine?
The IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-ethylcyclopropan-1-amine (CID 113341551) is N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-ethylcyclopropan-1-amine.
What is the SMILES notation for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-ethylcyclopropan-1-amine?
The canonical SMILES for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-ethylcyclopropan-1-amine is CCC1CC1NCc1c(Cl)oc2ccccc12.
What is the InChIKey of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-ethylcyclopropan-1-amine?
The InChIKey is XITPJYXEKCMYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-2-9-7-12(9)16-8-11-10-5-3-4-6-13(10)17-14(11)15/h3-6,9,12,16H,2,7-8H2,1H3.
What are the key properties of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-ethylcyclopropan-1-amine?
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-ethylcyclopropan-1-amine has a molecular weight of 249.74 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-ethylcyclopropan-1-amine is sourced from PubChem (CID 113341551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).