N-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine

C18H23BrFN — CID 79697122

IUPACN-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESFc1cc(Br)cc(CC2(CNC3CC3)CC3CCC2C3)c1
InChIInChI=1S/C18H23BrFN/c19-15-6-13(7-16(20)8-15)10-18(11-21-17-3-4-17)9-12-1-2-14(18)5-12/h6-8,12,14,17,21H,1-5,9-11H2
InChIKeyBNIQXVGRTSAVIZ-UHFFFAOYSA-N
MW352.29 g/mol
LogP4.69
Rot. Bonds5

About N-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine

N-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (PubChem CID 79697122) has the molecular formula C18H23BrFN and a molecular weight of 352.29 g/mol. Its IUPAC name is N-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
PubChem CID79697122
Molecular FormulaC18H23BrFN
Molecular Weight352.29 g/mol
Exact Mass351.10
IUPAC NameN-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESFc1cc(Br)cc(CC2(CNC3CC3)CC3CCC2C3)c1
InChIInChI=1S/C18H23BrFN/c19-15-6-13(7-16(20)8-15)10-18(11-21-17-3-4-17)9-12-1-2-14(18)5-12/h6-8,12,14,17,21H,1-5,9-11H2
InChIKeyBNIQXVGRTSAVIZ-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63521474
N-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 115984206
N-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63521648
N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63522529
N-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 102940477
N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine
CID 63522562
N-[(3-bromo-5-fluorophenyl)methyl]-4-chlorocyclohexan-1-amine
CID 79708463
N-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017852
2-(chloromethyl)-2-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]heptane
CID 82934973
N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 63520937
3-[(3-bromo-5-fluorophenyl)methyl]-3-methylazetidine
CID 79711008
N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63522350

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (CID 79697122) is N-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is Fc1cc(Br)cc(CC2(CNC3CC3)CC3CCC2C3)c1.
What is the InChIKey of N-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The InChIKey is BNIQXVGRTSAVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrFN/c19-15-6-13(7-16(20)8-15)10-18(11-21-17-3-4-17)9-12-1-2-14(18)5-12/h6-8,12,14,17,21H,1-5,9-11H2.
What are the key properties of N-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
N-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine has a molecular weight of 352.29 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is sourced from PubChem (CID 79697122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).