N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine

C15H20INO — CID 102649008

IUPACN-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)c1ccccc1I
InChIInChI=1S/C15H20INO/c1-2-10-17-15(14-9-5-6-11-18-14)12-7-3-4-8-13(12)16/h3-4,7-9,15,17H,2,5-6,10-11H2,1H3
InChIKeyXRVQMYLRRJCTGB-UHFFFAOYSA-N
MW357.24 g/mol
LogP4.03
Rot. Bonds5

About N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine

N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine (PubChem CID 102649008) has the molecular formula C15H20INO and a molecular weight of 357.24 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine
PubChem CID102649008
Molecular FormulaC15H20INO
Molecular Weight357.24 g/mol
Exact Mass357.06
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)c1ccccc1I
InChIInChI=1S/C15H20INO/c1-2-10-17-15(14-9-5-6-11-18-14)12-7-3-4-8-13(12)16/h3-4,7-9,15,17H,2,5-6,10-11H2,1H3
InChIKeyXRVQMYLRRJCTGB-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.03
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-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine
CID 102647362
N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 102649130
N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647383
N-[3,4-dihydro-2H-pyran-6-yl-(3-fluorophenyl)methyl]propan-1-amine
CID 102647099
N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 102647915
N-[(3,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647282
N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 102653281
N-[3,4-dihydro-2H-pyran-6-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 102649355
N-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine
CID 102647869
N-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649361
N-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653177
N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine
CID 115800974

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine (CID 102649008) is N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine is CCCNC(C1=CCCCO1)c1ccccc1I.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine?
The InChIKey is XRVQMYLRRJCTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO/c1-2-10-17-15(14-9-5-6-11-18-14)12-7-3-4-8-13(12)16/h3-4,7-9,15,17H,2,5-6,10-11H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine has a molecular weight of 357.24 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine is sourced from PubChem (CID 102649008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).