1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine

C14H20ClNO — CID 104545260

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine
SMILESCCCCCC(N)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C14H20ClNO/c1-2-3-4-5-13(16)12-9-11(15)8-10-6-7-17-14(10)12/h8-9,13H,2-7,16H2,1H3
InChIKeySZKJFFGHOLRMSY-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.86
Rot. Bonds5

About 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine (PubChem CID 104545260) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine
PubChem CID104545260
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine
SMILESCCCCCC(N)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C14H20ClNO/c1-2-3-4-5-13(16)12-9-11(15)8-10-6-7-17-14(10)12/h8-9,13H,2-7,16H2,1H3
InChIKeySZKJFFGHOLRMSY-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(1-bromooctyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104543944
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-1-amine
CID 104545544
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine
CID 105031486
7-(1-bromo-2-methylpentyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104544057
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-chlorophenyl)ethanamine
CID 104545138
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 104545220
ethyl 5-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylpentanoate
CID 104546100
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-methylpropan-1-amine
CID 113425467
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethylbutan-1-ol
CID 104543070
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-N-propylpentan-1-amine
CID 104545712
7-(1-bromo-2-methylbutyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104544047
5-bromo-7-(1-chlorooctyl)-2,3-dihydro-1-benzofuran
CID 104543327

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine (CID 104545260) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine is CCCCCC(N)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine?
The InChIKey is SZKJFFGHOLRMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-3-4-5-13(16)12-9-11(15)8-10-6-7-17-14(10)12/h8-9,13H,2-7,16H2,1H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine is sourced from PubChem (CID 104545260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).