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

C17H24ClNO — CID 105045883

IUPAC1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H24ClNO/c1-4-8-19-15(9-12(3)5-2)17-11-13-10-14(18)6-7-16(13)20-17/h6-7,10-12,15,19H,4-5,8-9H2,1-3H3
InChIKeySQZSRLABEQHLQM-UHFFFAOYSA-N
MW293.84 g/mol
LogP5.56
Rot. Bonds7

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

1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine (PubChem CID 105045883) 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)-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine
PubChem CID105045883
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H24ClNO/c1-4-8-19-15(9-12(3)5-2)17-11-13-10-14(18)6-7-16(13)20-17/h6-7,10-12,15,19H,4-5,8-9H2,1-3H3
InChIKeySQZSRLABEQHLQM-UHFFFAOYSA-N
XLogP5.56
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.84
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105185639
1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114874375
1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114886503
1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 105045970
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-butyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 115493598
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine
CID 114728420
5-chloro-2-(1-chlorobutyl)-1-benzofuran
CID 130480572
1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728136
4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine
CID 114733353
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)-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine (CID 105045883) is 1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine?
The InChIKey is SQZSRLABEQHLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-4-8-19-15(9-12(3)5-2)17-11-13-10-14(18)6-7-16(13)20-17/h6-7,10-12,15,19H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine?
1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine has a molecular weight of 293.84 g/mol, XLogP of 5.56, 7 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)-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 105045883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).