1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine

C16H25NO — CID 82984024

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H25NO/c1-3-5-12(6-4-2)16(17)14-7-8-15-13(11-14)9-10-18-15/h7-8,11-12,16H,3-6,9-10,17H2,1-2H3
InChIKeyWIEJMCBEKMUXMS-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.84
Rot. Bonds6

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine

1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine (PubChem CID 82984024) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine
PubChem CID82984024
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H25NO/c1-3-5-12(6-4-2)16(17)14-7-8-15-13(11-14)9-10-18-15/h7-8,11-12,16H,3-6,9-10,17H2,1-2H3
InChIKeyWIEJMCBEKMUXMS-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpentan-1-amine
CID 43210155
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine
CID 43198449
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride
CID 171202505
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-amine;hydrochloride
CID 86263152
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine
CID 104542714
2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 116942432
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43804523
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine
CID 115845362
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
5-(1-chloropentyl)-2,3-dihydro-1-benzofuran
CID 61086357

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine (CID 82984024) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine is CCCC(CCC)C(N)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine?
The InChIKey is WIEJMCBEKMUXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-5-12(6-4-2)16(17)14-7-8-15-13(11-14)9-10-18-15/h7-8,11-12,16H,3-6,9-10,17H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.84, 6 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-5-yl)-2-propylpentan-1-amine is sourced from PubChem (CID 82984024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).