2-ethyl-7-iodo-N-propyl-2,3-dihydro-1-benzofuran-3-amine

C13H18INO — CID 64663645

IUPAC2-ethyl-7-iodo-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2cccc(I)c2OC1CC
InChIInChI=1S/C13H18INO/c1-3-8-15-12-9-6-5-7-10(14)13(9)16-11(12)4-2/h5-7,11-12,15H,3-4,8H2,1-2H3
InChIKeyCXFXARJTFDZAKR-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.50
Rot. Bonds4

About 2-ethyl-7-iodo-N-propyl-2,3-dihydro-1-benzofuran-3-amine

2-ethyl-7-iodo-N-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 64663645) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is 2-ethyl-7-iodo-N-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name2-ethyl-7-iodo-N-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID64663645
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC Name2-ethyl-7-iodo-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2cccc(I)c2OC1CC
InChIInChI=1S/C13H18INO/c1-3-8-15-12-9-6-5-7-10(14)13(9)16-11(12)4-2/h5-7,11-12,15H,3-4,8H2,1-2H3
InChIKeyCXFXARJTFDZAKR-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2-dipropyl-2,3-dihydrobenzo[g][1]benzofuran-3-amine
CID 83049499
6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049608
N-ethyl-7-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83048808
5,7-dibromo-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64720848
2-ethyl-5,6-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64661620
7-bromo-2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64661426
5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64662423
2-ethyl-5-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64662426
N-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049623
9-bromo-N,2-dipropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine
CID 83039979
2-ethyl-7-fluoro-N-methoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 107659849
5-butan-2-yl-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107667198

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-iodo-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 2-ethyl-7-iodo-N-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 64663645) is 2-ethyl-7-iodo-N-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 2-ethyl-7-iodo-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 2-ethyl-7-iodo-N-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCNC1c2cccc(I)c2OC1CC.
What is the InChIKey of 2-ethyl-7-iodo-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is CXFXARJTFDZAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO/c1-3-8-15-12-9-6-5-7-10(14)13(9)16-11(12)4-2/h5-7,11-12,15H,3-4,8H2,1-2H3.
What are the key properties of 2-ethyl-7-iodo-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
2-ethyl-7-iodo-N-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 331.20 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-iodo-N-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 64663645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).