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

C15H17ClFNO — CID 65438525

IUPACN-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine
SMILESCCCNC(c1cc2cc(F)cc(Cl)c2o1)C1CC1
InChIInChI=1S/C15H17ClFNO/c1-2-5-18-14(9-3-4-9)13-7-10-6-11(17)8-12(16)15(10)19-13/h6-9,14,18H,2-5H2,1H3
InChIKeyOUPZVYGAMXIJFQ-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.68
Rot. Bonds5

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

N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine (PubChem CID 65438525) has the molecular formula C15H17ClFNO and a molecular weight of 281.76 g/mol. Its IUPAC name is N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine
PubChem CID65438525
Molecular FormulaC15H17ClFNO
Molecular Weight281.76 g/mol
Exact Mass281.10
IUPAC NameN-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine
SMILESCCCNC(c1cc2cc(F)cc(Cl)c2o1)C1CC1
InChIInChI=1S/C15H17ClFNO/c1-2-5-18-14(9-3-4-9)13-7-10-6-11(17)8-12(16)15(10)19-13/h6-9,14,18H,2-5H2,1H3
InChIKeyOUPZVYGAMXIJFQ-UHFFFAOYSA-N
XLogP4.68
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 54.68
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]propan-1-amine?
The IUPAC name of N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine (CID 65438525) is N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine.
What is the SMILES notation for N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine?
The canonical SMILES for N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine is CCCNC(c1cc2cc(F)cc(Cl)c2o1)C1CC1.
What is the InChIKey of N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine?
The InChIKey is OUPZVYGAMXIJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO/c1-2-5-18-14(9-3-4-9)13-7-10-6-11(17)8-12(16)15(10)19-13/h6-9,14,18H,2-5H2,1H3.
What are the key properties of N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine?
N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine has a molecular weight of 281.76 g/mol, XLogP of 4.68, 5 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]propan-1-amine is sourced from PubChem (CID 65438525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).