1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine

C16H19IN2O — CID 43784616

IUPAC1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine
SMILESIc1ccc(CNC2CCN(Cc3ccccc3)C2)o1
InChIInChI=1S/C16H19IN2O/c17-16-7-6-15(20-16)10-18-14-8-9-19(12-14)11-13-4-2-1-3-5-13/h1-7,14,18H,8-12H2
InChIKeyXWWIAVDEVLACBL-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.25
Rot. Bonds5

About 1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine

1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 43784616) has the molecular formula C16H19IN2O and a molecular weight of 382.25 g/mol. Its IUPAC name is 1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine
PubChem CID43784616
Molecular FormulaC16H19IN2O
Molecular Weight382.25 g/mol
Exact Mass382.05
IUPAC Name1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine
SMILESIc1ccc(CNC2CCN(Cc3ccccc3)C2)o1
InChIInChI=1S/C16H19IN2O/c17-16-7-6-15(20-16)10-18-14-8-9-19(12-14)11-13-4-2-1-3-5-13/h1-7,14,18H,8-12H2
InChIKeyXWWIAVDEVLACBL-UHFFFAOYSA-N
XLogP3.25
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine
CID 60713870
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
CID 113222195
(3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 30034860
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 102673140
1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
CID 43223638
1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine
CID 17159324
1-benzyl-N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]piperidin-4-amine;dihydrochloride
CID 17159468
1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 55025121
1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 55378502
1-benzyl-N-(1-methylcyclopropyl)pyrrolidin-3-amine
CID 162433803
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61285826

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine (CID 43784616) is 1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine is Ic1ccc(CNC2CCN(Cc3ccccc3)C2)o1.
What is the InChIKey of 1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is XWWIAVDEVLACBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN2O/c17-16-7-6-15(20-16)10-18-14-8-9-19(12-14)11-13-4-2-1-3-5-13/h1-7,14,18H,8-12H2.
What are the key properties of 1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine?
1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 382.25 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 43784616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).