N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine

C19H26BrN — CID 79563384

IUPACN-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine
SMILESBrc1ccccc1C(CNC1CC1)CC1CC2CCC1C2
InChIInChI=1S/C19H26BrN/c20-19-4-2-1-3-18(19)16(12-21-17-7-8-17)11-15-10-13-5-6-14(15)9-13/h1-4,13-17,21H,5-12H2
InChIKeySHAHZFSTIYXOTM-UHFFFAOYSA-N
MW348.33 g/mol
LogP5.11
Rot. Bonds6

About N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine

N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine (PubChem CID 79563384) has the molecular formula C19H26BrN and a molecular weight of 348.33 g/mol. Its IUPAC name is N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine
PubChem CID79563384
Molecular FormulaC19H26BrN
Molecular Weight348.33 g/mol
Exact Mass347.12
IUPAC NameN-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine
SMILESBrc1ccccc1C(CNC1CC1)CC1CC2CCC1C2
InChIInChI=1S/C19H26BrN/c20-19-4-2-1-3-18(19)16(12-21-17-7-8-17)11-15-10-13-5-6-14(15)9-13/h1-4,13-17,21H,5-12H2
InChIKeySHAHZFSTIYXOTM-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.33
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine with MolForge

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Related Compounds

N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine
CID 79562897
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine
CID 79561966
1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol
CID 79550906
3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)-N-propan-2-ylpropan-1-amine
CID 79562895
N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine
CID 79448847
N-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730256
2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane
CID 79549846
1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine
CID 117243579
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 105012696
N'-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-bromophenyl)-N'-methylpropane-1,3-diamine
CID 63682366
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115853955
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine
CID 105052415

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine (CID 79563384) is N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine is Brc1ccccc1C(CNC1CC1)CC1CC2CCC1C2.
What is the InChIKey of N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine?
The InChIKey is SHAHZFSTIYXOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN/c20-19-4-2-1-3-18(19)16(12-21-17-7-8-17)11-15-10-13-5-6-14(15)9-13/h1-4,13-17,21H,5-12H2.
What are the key properties of N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine?
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine has a molecular weight of 348.33 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine is sourced from PubChem (CID 79563384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).