N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine

C15H21BrN2 — CID 107636396

IUPACN-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCc1c(Br)cccc1N1CCC(CNC2CC2)C1
InChIInChI=1S/C15H21BrN2/c1-11-14(16)3-2-4-15(11)18-8-7-12(10-18)9-17-13-5-6-13/h2-4,12-13,17H,5-10H2,1H3
InChIKeyIRPXXGCRGJRMQX-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.34
Rot. Bonds4

About N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine

N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 107636396) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID107636396
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC NameN-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCc1c(Br)cccc1N1CCC(CNC2CC2)C1
InChIInChI=1S/C15H21BrN2/c1-11-14(16)3-2-4-15(11)18-8-7-12(10-18)9-17-13-5-6-13/h2-4,12-13,17H,5-10H2,1H3
InChIKeyIRPXXGCRGJRMQX-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine (CID 107636396) is N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine is Cc1c(Br)cccc1N1CCC(CNC2CC2)C1.
What is the InChIKey of N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is IRPXXGCRGJRMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-11-14(16)3-2-4-15(11)18-8-7-12(10-18)9-17-13-5-6-13/h2-4,12-13,17H,5-10H2,1H3.
What are the key properties of N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 309.25 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107636396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).