1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine

C14H19IN2 — CID 115871605

IUPAC1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine
SMILESCC1CC(Nc2cccc(I)c2)CN1C1CC1
InChIInChI=1S/C14H19IN2/c1-10-7-13(9-17(10)14-5-6-14)16-12-4-2-3-11(15)8-12/h2-4,8,10,13-14,16H,5-7,9H2,1H3
InChIKeyAFWIERRQURIZGK-UHFFFAOYSA-N
MW342.22 g/mol
LogP3.33
Rot. Bonds3

About 1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine

1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine (PubChem CID 115871605) has the molecular formula C14H19IN2 and a molecular weight of 342.22 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine
PubChem CID115871605
Molecular FormulaC14H19IN2
Molecular Weight342.22 g/mol
Exact Mass342.06
IUPAC Name1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine
SMILESCC1CC(Nc2cccc(I)c2)CN1C1CC1
InChIInChI=1S/C14H19IN2/c1-10-7-13(9-17(10)14-5-6-14)16-12-4-2-3-11(15)8-12/h2-4,8,10,13-14,16H,5-7,9H2,1H3
InChIKeyAFWIERRQURIZGK-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 53.33
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

1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine
CID 113491638
3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile
CID 115997321
N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131809
1-cyclopropyl-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
CID 115871514
(3R,5R)-1-cyclopropyl-5-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrrolidin-3-amine
CID 97330985
2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol
CID 107678571
1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 115871482
1-cyclopropyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine
CID 115871623
2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol
CID 107679322
1-cyclopropyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrrolidin-3-amine
CID 115871509
1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine
CID 113491642
1-cyclopropyl-5-methyl-N-naphthalen-1-ylpyrrolidin-3-amine
CID 115928211

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine (CID 115871605) is 1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine is CC1CC(Nc2cccc(I)c2)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine?
The InChIKey is AFWIERRQURIZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2/c1-10-7-13(9-17(10)14-5-6-14)16-12-4-2-3-11(15)8-12/h2-4,8,10,13-14,16H,5-7,9H2,1H3.
What are the key properties of 1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine?
1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine has a molecular weight of 342.22 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3-iodophenyl)-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 115871605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).