2-propyl-1-benzofuran-5-amine

C11H13NO — CID 22132951

IUPAC2-propyl-1-benzofuran-5-amine
SMILESCCCc1cc2cc(N)ccc2o1
InChIInChI=1S/C11H13NO/c1-2-3-10-7-8-6-9(12)4-5-11(8)13-10/h4-7H,2-3,12H2,1H3
InChIKeyVOKGIIJTIINOON-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.97
Rot. Bonds2

About 2-propyl-1-benzofuran-5-amine

2-propyl-1-benzofuran-5-amine (PubChem CID 22132951) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-propyl-1-benzofuran-5-amine.

Molecular Properties

Compound Name2-propyl-1-benzofuran-5-amine
PubChem CID22132951
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-propyl-1-benzofuran-5-amine
SMILESCCCc1cc2cc(N)ccc2o1
InChIInChI=1S/C11H13NO/c1-2-3-10-7-8-6-9(12)4-5-11(8)13-10/h4-7H,2-3,12H2,1H3
InChIKeyVOKGIIJTIINOON-UHFFFAOYSA-N
XLogP2.97
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-propyl-1-benzofuran-5-carbaldehyde
CID 139928925
2-butyl-5-nitroso-1-benzofuran
CID 91555766
2-butyl-1-benzofuran-5-carbonitrile
CID 69361525
2-propan-2-yl-1-benzofuran-5-amine
CID 144729089
3-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 82504583
2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine
CID 117175925
N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 114732869
2-butyl-1-benzofuran-5-carboxylic acid
CID 71574140
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine
CID 114733401
(2-ethyl-1-benzofuran-5-yl)methanamine
CID 82411118
2-iodo-5-propyl-1-benzofuran
CID 86051258
2-(aminomethyl)-1-benzofuran-6-amine
CID 45122675

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-benzofuran-5-amine?
The IUPAC name of 2-propyl-1-benzofuran-5-amine (CID 22132951) is 2-propyl-1-benzofuran-5-amine.
What is the SMILES notation for 2-propyl-1-benzofuran-5-amine?
The canonical SMILES for 2-propyl-1-benzofuran-5-amine is CCCc1cc2cc(N)ccc2o1.
What is the InChIKey of 2-propyl-1-benzofuran-5-amine?
The InChIKey is VOKGIIJTIINOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-3-10-7-8-6-9(12)4-5-11(8)13-10/h4-7H,2-3,12H2,1H3.
What are the key properties of 2-propyl-1-benzofuran-5-amine?
2-propyl-1-benzofuran-5-amine has a molecular weight of 175.23 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-benzofuran-5-amine is sourced from PubChem (CID 22132951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).