1-(2-bromo-5-iodophenyl)-N-cyclopropylpyrrolidin-3-amine

C13H16BrIN2 — CID 114261367

IUPAC1-(2-bromo-5-iodophenyl)-N-cyclopropylpyrrolidin-3-amine
SMILESBrc1ccc(I)cc1N1CCC(NC2CC2)C1
InChIInChI=1S/C13H16BrIN2/c14-12-4-1-9(15)7-13(12)17-6-5-11(8-17)16-10-2-3-10/h1,4,7,10-11,16H,2-3,5-6,8H2
InChIKeyQPZSIXJWLVZWCN-UHFFFAOYSA-N
MW407.09 g/mol
LogP3.38
Rot. Bonds3

About 1-(2-bromo-5-iodophenyl)-N-cyclopropylpyrrolidin-3-amine

1-(2-bromo-5-iodophenyl)-N-cyclopropylpyrrolidin-3-amine (PubChem CID 114261367) has the molecular formula C13H16BrIN2 and a molecular weight of 407.09 g/mol. Its IUPAC name is 1-(2-bromo-5-iodophenyl)-N-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-bromo-5-iodophenyl)-N-cyclopropylpyrrolidin-3-amine
PubChem CID114261367
Molecular FormulaC13H16BrIN2
Molecular Weight407.09 g/mol
Exact Mass405.95
IUPAC Name1-(2-bromo-5-iodophenyl)-N-cyclopropylpyrrolidin-3-amine
SMILESBrc1ccc(I)cc1N1CCC(NC2CC2)C1
InChIInChI=1S/C13H16BrIN2/c14-12-4-1-9(15)7-13(12)17-6-5-11(8-17)16-10-2-3-10/h1,4,7,10-11,16H,2-3,5-6,8H2
InChIKeyQPZSIXJWLVZWCN-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.09
LogP ≤ 53.38
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-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine
CID 116785617
1-(4-chloro-2-iodophenyl)-N-cyclopropylpiperidin-3-amine
CID 107639795
1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine
CID 82757769
1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-cyclopropylpyrrolidin-3-amine
CID 107336794
1-(2-chloro-3-methylphenyl)-N-cyclopropylpyrrolidin-3-amine
CID 114251538
N-cyclopropyl-1-(2-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 79043433
N-[[1-(2-bromo-5-iodophenyl)imidazol-4-yl]methyl]cyclopropanamine
CID 114261495
3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one
CID 130498812
N-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine
CID 114258870
1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine
CID 107636369
1-(2-bromo-5-iodophenyl)-2,3-dimethylpiperidin-4-amine
CID 114260487
[1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine
CID 81280509

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-iodophenyl)-N-cyclopropylpyrrolidin-3-amine?
The IUPAC name of 1-(2-bromo-5-iodophenyl)-N-cyclopropylpyrrolidin-3-amine (CID 114261367) is 1-(2-bromo-5-iodophenyl)-N-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-bromo-5-iodophenyl)-N-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-bromo-5-iodophenyl)-N-cyclopropylpyrrolidin-3-amine is Brc1ccc(I)cc1N1CCC(NC2CC2)C1.
What is the InChIKey of 1-(2-bromo-5-iodophenyl)-N-cyclopropylpyrrolidin-3-amine?
The InChIKey is QPZSIXJWLVZWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrIN2/c14-12-4-1-9(15)7-13(12)17-6-5-11(8-17)16-10-2-3-10/h1,4,7,10-11,16H,2-3,5-6,8H2.
What are the key properties of 1-(2-bromo-5-iodophenyl)-N-cyclopropylpyrrolidin-3-amine?
1-(2-bromo-5-iodophenyl)-N-cyclopropylpyrrolidin-3-amine has a molecular weight of 407.09 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-iodophenyl)-N-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 114261367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).