N-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine

C15H20BrN — CID 62829692

IUPACN-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine
SMILESBrc1ccccc1C1(CNC2CC2)CCCC1
InChIInChI=1S/C15H20BrN/c16-14-6-2-1-5-13(14)15(9-3-4-10-15)11-17-12-7-8-12/h1-2,5-6,12,17H,3-4,7-11H2
InChIKeyGMYMVWJJFAHBKD-UHFFFAOYSA-N
MW294.24 g/mol
LogP4.01
Rot. Bonds4

About N-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine

N-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine (PubChem CID 62829692) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is N-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine
PubChem CID62829692
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC NameN-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine
SMILESBrc1ccccc1C1(CNC2CC2)CCCC1
InChIInChI=1S/C15H20BrN/c16-14-6-2-1-5-13(14)15(9-3-4-10-15)11-17-12-7-8-12/h1-2,5-6,12,17H,3-4,7-11H2
InChIKeyGMYMVWJJFAHBKD-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine (CID 62829692) is N-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine is Brc1ccccc1C1(CNC2CC2)CCCC1.
What is the InChIKey of N-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine?
The InChIKey is GMYMVWJJFAHBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c16-14-6-2-1-5-13(14)15(9-3-4-10-15)11-17-12-7-8-12/h1-2,5-6,12,17H,3-4,7-11H2.
What are the key properties of N-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine?
N-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine has a molecular weight of 294.24 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 62829692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).