1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine

C13H13ClFNO — CID 65438339

IUPAC1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine
SMILESCNC(c1cc2cc(F)cc(Cl)c2o1)C1CC1
InChIInChI=1S/C13H13ClFNO/c1-16-12(7-2-3-7)11-5-8-4-9(15)6-10(14)13(8)17-11/h4-7,12,16H,2-3H2,1H3
InChIKeyPEUGJSQUOLQHAO-UHFFFAOYSA-N
MW253.70 g/mol
LogP3.90
Rot. Bonds3

About 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine

1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine (PubChem CID 65438339) has the molecular formula C13H13ClFNO and a molecular weight of 253.70 g/mol. Its IUPAC name is 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine
PubChem CID65438339
Molecular FormulaC13H13ClFNO
Molecular Weight253.70 g/mol
Exact Mass253.07
IUPAC Name1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine
SMILESCNC(c1cc2cc(F)cc(Cl)c2o1)C1CC1
InChIInChI=1S/C13H13ClFNO/c1-16-12(7-2-3-7)11-5-8-4-9(15)6-10(14)13(8)17-11/h4-7,12,16H,2-3H2,1H3
InChIKeyPEUGJSQUOLQHAO-UHFFFAOYSA-N
XLogP3.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine?
The IUPAC name of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine (CID 65438339) is 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine.
What is the SMILES notation for 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine?
The canonical SMILES for 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine is CNC(c1cc2cc(F)cc(Cl)c2o1)C1CC1.
What is the InChIKey of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine?
The InChIKey is PEUGJSQUOLQHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO/c1-16-12(7-2-3-7)11-5-8-4-9(15)6-10(14)13(8)17-11/h4-7,12,16H,2-3H2,1H3.
What are the key properties of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine?
1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine has a molecular weight of 253.70 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine is sourced from PubChem (CID 65438339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).