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

C18H24BrN — CID 63521474

IUPACN-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESBrc1cccc(CC2(CNC3CC3)CC3CCC2C3)c1
InChIInChI=1S/C18H24BrN/c19-16-3-1-2-13(9-16)10-18(12-20-17-6-7-17)11-14-4-5-15(18)8-14/h1-3,9,14-15,17,20H,4-8,10-12H2
InChIKeyZYCIGRDWCVCBBO-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.55
Rot. Bonds5

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

N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (PubChem CID 63521474) has the molecular formula C18H24BrN and a molecular weight of 334.30 g/mol. Its IUPAC name is N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
PubChem CID63521474
Molecular FormulaC18H24BrN
Molecular Weight334.30 g/mol
Exact Mass333.11
IUPAC NameN-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESBrc1cccc(CC2(CNC3CC3)CC3CCC2C3)c1
InChIInChI=1S/C18H24BrN/c19-16-3-1-2-13(9-16)10-18(12-20-17-6-7-17)11-14-4-5-15(18)8-14/h1-3,9,14-15,17,20H,4-8,10-12H2
InChIKeyZYCIGRDWCVCBBO-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 79697122
N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine
CID 63522562
N-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63522182
N-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 115984206
N-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63521649
N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63522529
N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
CID 63522034
2-[(3-bromophenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 44554418
N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
CID 63521467
N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63775029
N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 63520937
5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3-dihydro-1H-indene
CID 66050152

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (CID 63521474) is N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is Brc1cccc(CC2(CNC3CC3)CC3CCC2C3)c1.
What is the InChIKey of N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The InChIKey is ZYCIGRDWCVCBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN/c19-16-3-1-2-13(9-16)10-18(12-20-17-6-7-17)11-14-4-5-15(18)8-14/h1-3,9,14-15,17,20H,4-8,10-12H2.
What are the key properties of N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine has a molecular weight of 334.30 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is sourced from PubChem (CID 63521474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).