N-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine

C14H18INO — CID 114030284

IUPACN-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)c1cccc(C)c1I
InChIInChI=1S/C14H18INO/c1-3-16-14(12-8-5-9-17-12)11-7-4-6-10(2)13(11)15/h4,6-8,14,16H,3,5,9H2,1-2H3
InChIKeyRMMDUUYQYVWZBE-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.55
Rot. Bonds4

About N-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine

N-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine (PubChem CID 114030284) has the molecular formula C14H18INO and a molecular weight of 343.21 g/mol. Its IUPAC name is N-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine
PubChem CID114030284
Molecular FormulaC14H18INO
Molecular Weight343.21 g/mol
Exact Mass343.04
IUPAC NameN-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)c1cccc(C)c1I
InChIInChI=1S/C14H18INO/c1-3-16-14(12-8-5-9-17-12)11-7-4-6-10(2)13(11)15/h4,6-8,14,16H,3,5,9H2,1-2H3
InChIKeyRMMDUUYQYVWZBE-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.55
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-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102653731
N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 102653722
[(2-bromo-3-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine
CID 107986221
N-[(2-iodo-3-methylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 114030052
N-[2,3-dihydrofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 102653774
N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 102653281
N-[2,3-dihydrofuran-5-yl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102652042
N-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653177
N-[[2-bromo-5-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102653732
N-[(5-bromo-2-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653170
N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine
CID 102649008
N-[2,3-dihydrofuran-5-yl-(1-phenylcyclopropyl)methyl]ethanamine
CID 102651499

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine (CID 114030284) is N-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine is CCNC(C1=CCCO1)c1cccc(C)c1I.
What is the InChIKey of N-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine?
The InChIKey is RMMDUUYQYVWZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO/c1-3-16-14(12-8-5-9-17-12)11-7-4-6-10(2)13(11)15/h4,6-8,14,16H,3,5,9H2,1-2H3.
What are the key properties of N-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine?
N-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine has a molecular weight of 343.21 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 114030284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).