N-[[1-(4-iodophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine

C14H19IN2 — CID 55081197

IUPACN-[[1-(4-iodophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESIc1ccc(N2CCC(CNC3CC3)C2)cc1
InChIInChI=1S/C14H19IN2/c15-12-1-5-14(6-2-12)17-8-7-11(10-17)9-16-13-3-4-13/h1-2,5-6,11,13,16H,3-4,7-10H2
InChIKeyRMCZLBJJBUELMW-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.87
Rot. Bonds4

About N-[[1-(4-iodophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine

N-[[1-(4-iodophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 55081197) has the molecular formula C14H19IN2 and a molecular weight of 342.22 g/mol. Its IUPAC name is N-[[1-(4-iodophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-iodophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID55081197
Molecular FormulaC14H19IN2
Molecular Weight342.22 g/mol
Exact Mass342.06
IUPAC NameN-[[1-(4-iodophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESIc1ccc(N2CCC(CNC3CC3)C2)cc1
InChIInChI=1S/C14H19IN2/c15-12-1-5-14(6-2-12)17-8-7-11(10-17)9-16-13-3-4-13/h1-2,5-6,11,13,16H,3-4,7-10H2
InChIKeyRMCZLBJJBUELMW-UHFFFAOYSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.87
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-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513515
N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 62513614
N-[[1-(4-bromo-3-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513701
1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine
CID 125447400
N-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513359
N-[[1-[4-bromo-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 64854781
N-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62511468
N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513057
N-[[1-(2,4,6-trichlorophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 55081291
ethyl 4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]piperidine-1-carboxylate
CID 71921314
2-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylaniline
CID 106760054
N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 107636396

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-iodophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-iodophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine (CID 55081197) is N-[[1-(4-iodophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-iodophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-iodophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine is Ic1ccc(N2CCC(CNC3CC3)C2)cc1.
What is the InChIKey of N-[[1-(4-iodophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is RMCZLBJJBUELMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2/c15-12-1-5-14(6-2-12)17-8-7-11(10-17)9-16-13-3-4-13/h1-2,5-6,11,13,16H,3-4,7-10H2.
What are the key properties of N-[[1-(4-iodophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[1-(4-iodophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 342.22 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-iodophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55081197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).