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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pentan-3-yl-9H-fluoren-2-amine
CID 28555753
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-1,3-dihydro-2-benzofuran-5-amine
CID 99776834
1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea
CID 118767148
N-(1-pyrazin-2-ylethyl)-1,3-dihydro-2-benzofuran-5-amine
CID 113354172
1-(1,3-dihydro-2-benzofuran-5-yl)propylhydrazine
CID 105281849
N-(cyclopropylmethyl)-1,3-dihydro-2-benzofuran-5-amine
CID 130165125
N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydro-2-benzofuran-5-amine
CID 144987166
N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63755903
1-amino-2-butyl-3-(1,3-dihydro-2-benzofuran-5-yl)guanidine
CID 114262951
2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide
CID 113357367
22-ethyl-3,6,9,12,15,18-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-triene
CID 23276776
N-[(5-methyloxolan-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine
CID 114262629

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).