N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine

C14H15ClFNO — CID 65438527

IUPACN-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
SMILESCCNC(c1cc2cc(F)cc(Cl)c2o1)C1CC1
InChIInChI=1S/C14H15ClFNO/c1-2-17-13(8-3-4-8)12-6-9-5-10(16)7-11(15)14(9)18-12/h5-8,13,17H,2-4H2,1H3
InChIKeyVPWCBCTWYGFVQL-UHFFFAOYSA-N
MW267.73 g/mol
LogP4.29
Rot. Bonds4

About N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine

N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine (PubChem CID 65438527) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
PubChem CID65438527
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC NameN-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
SMILESCCNC(c1cc2cc(F)cc(Cl)c2o1)C1CC1
InChIInChI=1S/C14H15ClFNO/c1-2-17-13(8-3-4-8)12-6-9-5-10(16)7-11(15)14(9)18-12/h5-8,13,17H,2-4H2,1H3
InChIKeyVPWCBCTWYGFVQL-UHFFFAOYSA-N
XLogP4.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine?
The IUPAC name of N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine (CID 65438527) is N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine.
What is the SMILES notation for N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine?
The canonical SMILES for N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine is CCNC(c1cc2cc(F)cc(Cl)c2o1)C1CC1.
What is the InChIKey of N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine?
The InChIKey is VPWCBCTWYGFVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO/c1-2-17-13(8-3-4-8)12-6-9-5-10(16)7-11(15)14(9)18-12/h5-8,13,17H,2-4H2,1H3.
What are the key properties of N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine?
N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine has a molecular weight of 267.73 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine is sourced from PubChem (CID 65438527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).