N-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-amine

C17H20INOS — CID 79691303

IUPACN-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(I)c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H20INOS/c1-2-7-19-17(14-10-16(18)21-11-14)13-5-6-15-12(9-13)4-3-8-20-15/h5-6,9-11,17,19H,2-4,7-8H2,1H3
InChIKeyBZZGZQFQDBMANX-UHFFFAOYSA-N
MW413.32 g/mol
LogP4.77
Rot. Bonds5

About N-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-amine

N-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-amine (PubChem CID 79691303) has the molecular formula C17H20INOS and a molecular weight of 413.32 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-amine
PubChem CID79691303
Molecular FormulaC17H20INOS
Molecular Weight413.32 g/mol
Exact Mass413.03
IUPAC NameN-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(I)c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H20INOS/c1-2-7-19-17(14-10-16(18)21-11-14)13-5-6-15-12(9-13)4-3-8-20-15/h5-6,9-11,17,19H,2-4,7-8H2,1H3
InChIKeyBZZGZQFQDBMANX-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-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-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine
CID 61027484
N-[3,4-dihydro-2H-chromen-6-yl-(4-iodophenyl)methyl]ethanamine
CID 61027766
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol
CID 79684302
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine
CID 79693199
N-[(4-butan-2-ylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79691128
N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine
CID 43495451
N-[(3-chloro-4-methylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 107561776
N-[(4-fluoro-3-methylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79747223
N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105180168
N-[cyclopenten-1-yl(2,3-dihydro-1-benzofuran-5-yl)methyl]propan-1-amine
CID 62200506
N-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine
CID 63503431
N-[(3-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methyl]ethanamine
CID 80643911

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-amine (CID 79691303) is N-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-amine is CCCNC(c1csc(I)c1)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-amine?
The InChIKey is BZZGZQFQDBMANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INOS/c1-2-7-19-17(14-10-16(18)21-11-14)13-5-6-15-12(9-13)4-3-8-20-15/h5-6,9-11,17,19H,2-4,7-8H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-amine has a molecular weight of 413.32 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 79691303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).