1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine

C13H16ClNO2 — CID 115010670

IUPAC1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine
SMILESCC(N)Cc1c2c(c(Cl)c3c1OCC3)OCC2
InChIInChI=1S/C13H16ClNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
InChIKeyUATWFQDUTNZHMP-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.10
Rot. Bonds2

About 1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine

1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine (PubChem CID 115010670) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine
PubChem CID115010670
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine
SMILESCC(N)Cc1c2c(c(Cl)c3c1OCC3)OCC2
InChIInChI=1S/C13H16ClNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
InChIKeyUATWFQDUTNZHMP-UHFFFAOYSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine with MolForge

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Related Compounds

8-(2-aminopropyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
CID 117342172
2-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanamine
CID 115010668
(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methanethiol
CID 116986482
3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propanoic acid
CID 115010184
1-[4-(2-aminopropyl)-2,3,5,6-tetrachlorophenyl]propan-2-amine
CID 170864520
1-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)-N-methylmethanamine
CID 115010145
1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 117327727
1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopentan-1-amine
CID 117448866
1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclohexan-1-amine
CID 117474079
1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
CID 117358761
2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine
CID 115010665
2-methyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-1-amine
CID 116986250

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine?
The IUPAC name of 1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine (CID 115010670) is 1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine?
The canonical SMILES for 1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine is CC(N)Cc1c2c(c(Cl)c3c1OCC3)OCC2.
What is the InChIKey of 1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine?
The InChIKey is UATWFQDUTNZHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3.
What are the key properties of 1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine?
1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine has a molecular weight of 253.73 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine is sourced from PubChem (CID 115010670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).