7-(2-aminopropyl)-5-fluoro-1-benzofuran-2-carbaldehyde;hydrochloride

C12H13ClFNO2 — CID 22144880

IUPAC7-(2-aminopropyl)-5-fluoro-1-benzofuran-2-carbaldehyde;hydrochloride
SMILESCC(N)Cc1cc(F)cc2cc(C=O)oc12.Cl
InChIInChI=1S/C12H12FNO2.ClH/c1-7(14)2-8-3-10(13)4-9-5-11(6-15)16-12(8)9;/h3-7H,2,14H2,1H3;1H
InChIKeyGWEGBCYKBDTMBJ-UHFFFAOYSA-N
MW257.69 g/mol
LogP2.70
Rot. Bonds3

About 7-(2-aminopropyl)-5-fluoro-1-benzofuran-2-carbaldehyde;hydrochloride

7-(2-aminopropyl)-5-fluoro-1-benzofuran-2-carbaldehyde;hydrochloride (PubChem CID 22144880) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is 7-(2-aminopropyl)-5-fluoro-1-benzofuran-2-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name7-(2-aminopropyl)-5-fluoro-1-benzofuran-2-carbaldehyde;hydrochloride
PubChem CID22144880
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name7-(2-aminopropyl)-5-fluoro-1-benzofuran-2-carbaldehyde;hydrochloride
SMILESCC(N)Cc1cc(F)cc2cc(C=O)oc12.Cl
InChIInChI=1S/C12H12FNO2.ClH/c1-7(14)2-8-3-10(13)4-9-5-11(6-15)16-12(8)9;/h3-7H,2,14H2,1H3;1H
InChIKeyGWEGBCYKBDTMBJ-UHFFFAOYSA-N
XLogP2.70
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-chloro-5-fluoro-1-benzofuran-2-carbaldehyde
CID 65428039
5-fluoro-1-benzofuran-2-carbaldehyde
CID 10844747
5-propan-2-yl-7-(trifluoromethyl)-1-benzofuran-2-carbaldehyde
CID 130283084
1-(3-bromo-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83902061
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
1-(7-fluoroisoquinolin-5-yl)propan-2-amine
CID 82577419
1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 147165648
1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117324016
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83887889
7-(2-aminopropyl)-N,N-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 140503736
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminopropyl)-5-fluoro-1-benzofuran-2-carbaldehyde;hydrochloride?
The IUPAC name of 7-(2-aminopropyl)-5-fluoro-1-benzofuran-2-carbaldehyde;hydrochloride (CID 22144880) is 7-(2-aminopropyl)-5-fluoro-1-benzofuran-2-carbaldehyde;hydrochloride.
What is the SMILES notation for 7-(2-aminopropyl)-5-fluoro-1-benzofuran-2-carbaldehyde;hydrochloride?
The canonical SMILES for 7-(2-aminopropyl)-5-fluoro-1-benzofuran-2-carbaldehyde;hydrochloride is CC(N)Cc1cc(F)cc2cc(C=O)oc12.Cl.
What is the InChIKey of 7-(2-aminopropyl)-5-fluoro-1-benzofuran-2-carbaldehyde;hydrochloride?
The InChIKey is GWEGBCYKBDTMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2.ClH/c1-7(14)2-8-3-10(13)4-9-5-11(6-15)16-12(8)9;/h3-7H,2,14H2,1H3;1H.
What are the key properties of 7-(2-aminopropyl)-5-fluoro-1-benzofuran-2-carbaldehyde;hydrochloride?
7-(2-aminopropyl)-5-fluoro-1-benzofuran-2-carbaldehyde;hydrochloride has a molecular weight of 257.69 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminopropyl)-5-fluoro-1-benzofuran-2-carbaldehyde;hydrochloride is sourced from PubChem (CID 22144880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).