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

C16H24ClNO — CID 105031486

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine
SMILESCCCCCCC(N)Cc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C16H24ClNO/c1-2-3-4-5-6-15(18)11-13-10-14(17)9-12-7-8-19-16(12)13/h9-10,15H,2-8,11,18H2,1H3
InChIKeyHFYMYWUEOVKHFK-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.12
Rot. Bonds7

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

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine (PubChem CID 105031486) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine
PubChem CID105031486
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine
SMILESCCCCCCC(N)Cc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C16H24ClNO/c1-2-3-4-5-6-15(18)11-13-10-14(17)9-12-7-8-19-16(12)13/h9-10,15H,2-8,11,18H2,1H3
InChIKeyHFYMYWUEOVKHFK-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.12
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

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine
CID 104545260
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethylsulfanylpropan-2-amine
CID 113403571
[1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethylheptan-2-yl]hydrazine
CID 105332421
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(furan-2-yl)butan-2-amine
CID 105178397
7-(1-bromooctyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104543944
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)decan-2-one
CID 115796413
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine
CID 105031448
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine
CID 105031505
5-chloro-7-(4-chloroheptyl)-2,3-dihydro-1-benzofuran
CID 113403748
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)-4-propoxybutan-2-ol
CID 105123648

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine (CID 105031486) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine is CCCCCCC(N)Cc1cc(Cl)cc2c1OCC2.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine?
The InChIKey is HFYMYWUEOVKHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-3-4-5-6-15(18)11-13-10-14(17)9-12-7-8-19-16(12)13/h9-10,15H,2-8,11,18H2,1H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine has a molecular weight of 281.83 g/mol, XLogP of 4.12, 7 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)octan-2-amine is sourced from PubChem (CID 105031486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).