7-iodo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine

C11H14INO — CID 43512732

IUPAC7-iodo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)NC1COc2c(I)cccc21
InChIInChI=1S/C11H14INO/c1-7(2)13-10-6-14-11-8(10)4-3-5-9(11)12/h3-5,7,10,13H,6H2,1-2H3
InChIKeyMARUGYDSHRLZCV-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.72
Rot. Bonds2

About 7-iodo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine

7-iodo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 43512732) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is 7-iodo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-iodo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID43512732
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name7-iodo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)NC1COc2c(I)cccc21
InChIInChI=1S/C11H14INO/c1-7(2)13-10-6-14-11-8(10)4-3-5-9(11)12/h3-5,7,10,13H,6H2,1-2H3
InChIKeyMARUGYDSHRLZCV-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-iodo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-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

7-iodo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 114287283
5,7-dibromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 64719068
9-bromo-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512414
7-bromo-5-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43512238
3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol
CID 112546911
7-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511838
7-tert-butyl-4-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43512082
5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43511932
7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512531
7-bromo-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 81481939
5-bromo-4,7-dichloro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 107659790
8-iodo-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 114287285

Frequently Asked Questions

What is the IUPAC name of 7-iodo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-iodo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine (CID 43512732) is 7-iodo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-iodo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-iodo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine is CC(C)NC1COc2c(I)cccc21.
What is the InChIKey of 7-iodo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is MARUGYDSHRLZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO/c1-7(2)13-10-6-14-11-8(10)4-3-5-9(11)12/h3-5,7,10,13H,6H2,1-2H3.
What are the key properties of 7-iodo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
7-iodo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 303.14 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 43512732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).