1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine

C15H16INO — CID 43786897

IUPAC1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine
SMILESIc1ccc(CNC(c2ccccc2)C2CC2)o1
InChIInChI=1S/C15H16INO/c16-14-9-8-13(18-14)10-17-15(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-9,12,15,17H,6-7,10H2
InChIKeyXCPOXKJYGFZNMD-UHFFFAOYSA-N
MW353.20 g/mol
LogP4.13
Rot. Bonds5

About 1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine

1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine (PubChem CID 43786897) has the molecular formula C15H16INO and a molecular weight of 353.20 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine
PubChem CID43786897
Molecular FormulaC15H16INO
Molecular Weight353.20 g/mol
Exact Mass353.03
IUPAC Name1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine
SMILESIc1ccc(CNC(c2ccccc2)C2CC2)o1
InChIInChI=1S/C15H16INO/c16-14-9-8-13(18-14)10-17-15(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-9,12,15,17H,6-7,10H2
InChIKeyXCPOXKJYGFZNMD-UHFFFAOYSA-N
XLogP4.13
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 54.13
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

5-[[[cyclopropyl(phenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 63316651
2-ethyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylbutan-1-amine
CID 43788951
N-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43786376
1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine
CID 62384702
1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine
CID 115898442
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
1-cyclopropyl-2-[[cyclopropyl(phenyl)methyl]amino]ethanol
CID 63298552
3-[[[cyclopropyl(phenyl)methyl]amino]methyl]cyclobutan-1-ol
CID 66005834
1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
CID 79707917
1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine
CID 54883334
N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570466
1-cyclopropyl-N-[(4-methyloxan-4-yl)methyl]-1-phenylmethanamine
CID 103911353

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine?
The IUPAC name of 1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine (CID 43786897) is 1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine is Ic1ccc(CNC(c2ccccc2)C2CC2)o1.
What is the InChIKey of 1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine?
The InChIKey is XCPOXKJYGFZNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO/c16-14-9-8-13(18-14)10-17-15(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-9,12,15,17H,6-7,10H2.
What are the key properties of 1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine?
1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine has a molecular weight of 353.20 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 43786897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).