1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine

C17H24ClNO — CID 114733405

IUPAC1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)CCc1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H24ClNO/c1-3-5-15(19-10-4-2)7-8-16-12-13-11-14(18)6-9-17(13)20-16/h6,9,11-12,15,19H,3-5,7-8,10H2,1-2H3
InChIKeyHSZAJMKRMQBIFP-UHFFFAOYSA-N
MW293.84 g/mol
LogP5.19
Rot. Bonds8

About 1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine

1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine (PubChem CID 114733405) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine
PubChem CID114733405
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)CCc1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H24ClNO/c1-3-5-15(19-10-4-2)7-8-16-12-13-11-14(18)6-9-17(13)20-16/h6,9,11-12,15,19H,3-5,7-8,10H2,1-2H3
InChIKeyHSZAJMKRMQBIFP-UHFFFAOYSA-N
XLogP5.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.84
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine
CID 114733353
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine
CID 114733401
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)hexan-3-amine
CID 114733396
1-(5-chloro-1-benzofuran-2-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105185639
5-chloro-2-(1-chlorobutyl)-1-benzofuran
CID 130480572
1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105045883
1-(5-chloro-1-benzofuran-2-yl)butylhydrazine
CID 105202028
3-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 114735577
1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 105045970
N-[(5-chloro-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 105185696
[1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine
CID 105338554
N-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105045894

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine (CID 114733405) is 1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine is CCCNC(CCC)CCc1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine?
The InChIKey is HSZAJMKRMQBIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-3-5-15(19-10-4-2)7-8-16-12-13-11-14(18)6-9-17(13)20-16/h6,9,11-12,15,19H,3-5,7-8,10H2,1-2H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine?
1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine has a molecular weight of 293.84 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine is sourced from PubChem (CID 114733405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).