1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine

C17H24ClNO2 — CID 105031427

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
SMILESCNC(CCC1CCCO1)Cc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C17H24ClNO2/c1-19-15(4-5-16-3-2-7-20-16)11-13-10-14(18)9-12-6-8-21-17(12)13/h9-10,15-16,19H,2-8,11H2,1H3
InChIKeyKSMAUCZXBXFPNQ-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.36
Rot. Bonds6

About 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine (PubChem CID 105031427) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
PubChem CID105031427
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
SMILESCNC(CCC1CCCO1)Cc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C17H24ClNO2/c1-19-15(4-5-16-3-2-7-20-16)11-13-10-14(18)9-12-6-8-21-17(12)13/h9-10,15-16,19H,2-8,11H2,1H3
InChIKeyKSMAUCZXBXFPNQ-UHFFFAOYSA-N
XLogP3.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine with MolForge

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Related Compounds

7-[1-bromo-3-(oxolan-2-yl)propyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544096
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178379
1-(3-chloro-2-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 82805857
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethyl]hydrazine
CID 105204339
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 105031407
N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine
CID 115844160
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(oxan-2-yl)ethanol
CID 115830818
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
1-(2-bromo-5-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 115843578
1-(4-bromo-2-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 115844482
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine
CID 113403548
1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164845

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine (CID 105031427) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine is CNC(CCC1CCCO1)Cc1cc(Cl)cc2c1OCC2.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is KSMAUCZXBXFPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-19-15(4-5-16-3-2-7-20-16)11-13-10-14(18)9-12-6-8-21-17(12)13/h9-10,15-16,19H,2-8,11H2,1H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 309.84 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 105031427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).