1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine

C17H22ClNO — CID 105045970

IUPAC1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc2cc(Cl)ccc2o1)C(C)C1CC1
InChIInChI=1S/C17H22ClNO/c1-3-8-19-17(11(2)12-4-5-12)16-10-13-9-14(18)6-7-15(13)20-16/h6-7,9-12,17,19H,3-5,8H2,1-2H3
InChIKeyFINAWZBZWGZHIQ-UHFFFAOYSA-N
MW291.82 g/mol
LogP5.17
Rot. Bonds6

About 1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine

1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine (PubChem CID 105045970) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
PubChem CID105045970
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc2cc(Cl)ccc2o1)C(C)C1CC1
InChIInChI=1S/C17H22ClNO/c1-3-8-19-17(11(2)12-4-5-12)16-10-13-9-14(18)6-7-15(13)20-16/h6-7,9-12,17,19H,3-5,8H2,1-2H3
InChIKeyFINAWZBZWGZHIQ-UHFFFAOYSA-N
XLogP5.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.82
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155271
1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105045883
(5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine
CID 114729243
N-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105045894
(5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine
CID 114729198
3-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 114735577
N-[7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]ethanamine
CID 105045723
1-(5-chloro-1-benzofuran-2-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105185639
[1-(5-chloro-1-benzofuran-2-yl)-2-methylpentyl]hydrazine
CID 105338554
2-cyclopropyl-1-(3,4-dichlorophenyl)-N-propylpropan-1-amine
CID 83155273
4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine
CID 114733353
N-[(5-chloro-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methyl]propan-1-amine
CID 114730026

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine (CID 105045970) is 1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine is CCCNC(c1cc2cc(Cl)ccc2o1)C(C)C1CC1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine?
The InChIKey is FINAWZBZWGZHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-3-8-19-17(11(2)12-4-5-12)16-10-13-9-14(18)6-7-15(13)20-16/h6-7,9-12,17,19H,3-5,8H2,1-2H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine?
1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine has a molecular weight of 291.82 g/mol, XLogP of 5.17, 6 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)-2-cyclopropyl-N-propylpropan-1-amine is sourced from PubChem (CID 105045970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).