N-pentan-3-yl-1,3-dihydro-2-benzofuran-5-amine

C13H19NO — CID 115922539

IUPACN-pentan-3-yl-1,3-dihydro-2-benzofuran-5-amine
SMILESCCC(CC)Nc1ccc2c(c1)COC2
InChIInChI=1S/C13H19NO/c1-3-12(4-2)14-13-6-5-10-8-15-9-11(10)7-13/h5-7,12,14H,3-4,8-9H2,1-2H3
InChIKeyGHCUOUWPANHCCE-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.32
Rot. Bonds4

About N-pentan-3-yl-1,3-dihydro-2-benzofuran-5-amine

N-pentan-3-yl-1,3-dihydro-2-benzofuran-5-amine (PubChem CID 115922539) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-pentan-3-yl-1,3-dihydro-2-benzofuran-5-amine.

Molecular Properties

Compound NameN-pentan-3-yl-1,3-dihydro-2-benzofuran-5-amine
PubChem CID115922539
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-pentan-3-yl-1,3-dihydro-2-benzofuran-5-amine
SMILESCCC(CC)Nc1ccc2c(c1)COC2
InChIInChI=1S/C13H19NO/c1-3-12(4-2)14-13-6-5-10-8-15-9-11(10)7-13/h5-7,12,14H,3-4,8-9H2,1-2H3
InChIKeyGHCUOUWPANHCCE-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-1,3-dihydro-2-benzofuran-5-amine?
The IUPAC name of N-pentan-3-yl-1,3-dihydro-2-benzofuran-5-amine (CID 115922539) is N-pentan-3-yl-1,3-dihydro-2-benzofuran-5-amine.
What is the SMILES notation for N-pentan-3-yl-1,3-dihydro-2-benzofuran-5-amine?
The canonical SMILES for N-pentan-3-yl-1,3-dihydro-2-benzofuran-5-amine is CCC(CC)Nc1ccc2c(c1)COC2.
What is the InChIKey of N-pentan-3-yl-1,3-dihydro-2-benzofuran-5-amine?
The InChIKey is GHCUOUWPANHCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-12(4-2)14-13-6-5-10-8-15-9-11(10)7-13/h5-7,12,14H,3-4,8-9H2,1-2H3.
What are the key properties of N-pentan-3-yl-1,3-dihydro-2-benzofuran-5-amine?
N-pentan-3-yl-1,3-dihydro-2-benzofuran-5-amine has a molecular weight of 205.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-1,3-dihydro-2-benzofuran-5-amine is sourced from PubChem (CID 115922539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).