1-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-1-amine

C17H27NO — CID 107894211

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(C(C)CCC)C1Cc2ccccc2O1
InChIInChI=1S/C17H27NO/c1-4-8-13(3)17(18-11-5-2)16-12-14-9-6-7-10-15(14)19-16/h6-7,9-10,13,16-18H,4-5,8,11-12H2,1-3H3
InChIKeyNOLKREYJSXQLLJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.79
Rot. Bonds7

About 1-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-1-amine

1-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-1-amine (PubChem CID 107894211) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-1-amine
PubChem CID107894211
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(C(C)CCC)C1Cc2ccccc2O1
InChIInChI=1S/C17H27NO/c1-4-8-13(3)17(18-11-5-2)16-12-14-9-6-7-10-15(14)19-16/h6-7,9-10,13,16-18H,4-5,8,11-12H2,1-3H3
InChIKeyNOLKREYJSXQLLJ-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,3-dihydro-1-benzofuran-2-yl-(4-methylphenyl)methyl]propan-1-amine
CID 43495091
N-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 82932855
1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475790
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 106601790
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-N-propylhexan-2-amine
CID 105003712
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine
CID 107895095
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
1-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-N-propylpentan-1-amine
CID 65411094
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethyl-N-propylpentan-2-amine
CID 66364834
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine
CID 107895416
1-(2,3-dihydro-1-benzofuran-2-yl)heptylhydrazine
CID 105262982
6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine
CID 66363664

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-1-amine (CID 107894211) is 1-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-1-amine is CCCNC(C(C)CCC)C1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-1-amine?
The InChIKey is NOLKREYJSXQLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-8-13(3)17(18-11-5-2)16-12-14-9-6-7-10-15(14)19-16/h6-7,9-10,13,16-18H,4-5,8,11-12H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-1-amine?
1-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 107894211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).