N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine

C15H20BrFN2 — CID 62581260

IUPACN-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(Br)cc1CN1CCCC1CNC1CC1
InChIInChI=1S/C15H20BrFN2/c16-12-3-6-15(17)11(8-12)10-19-7-1-2-14(19)9-18-13-4-5-13/h3,6,8,13-14,18H,1-2,4-5,7,9-10H2
InChIKeyWZMOUPIWXWTWCE-UHFFFAOYSA-N
MW327.24 g/mol
LogP3.30
Rot. Bonds5

About N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine

N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine (PubChem CID 62581260) has the molecular formula C15H20BrFN2 and a molecular weight of 327.24 g/mol. Its IUPAC name is N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
PubChem CID62581260
Molecular FormulaC15H20BrFN2
Molecular Weight327.24 g/mol
Exact Mass326.08
IUPAC NameN-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(Br)cc1CN1CCCC1CNC1CC1
InChIInChI=1S/C15H20BrFN2/c16-12-3-6-15(17)11(8-12)10-19-7-1-2-14(19)9-18-13-4-5-13/h3,6,8,13-14,18H,1-2,4-5,7,9-10H2
InChIKeyWZMOUPIWXWTWCE-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 43187006
N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 62581106
N-[[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 62580390
N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 65317442
1-[1-[(5-bromo-2-fluorophenyl)methyl]azepan-2-yl]propan-2-ol
CID 114338762
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62581996
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 60584720
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926963
1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273349
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070645
N-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 62579866
2-[(5-bromo-2-fluorophenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111064562

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine (CID 62581260) is N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine is Fc1ccc(Br)cc1CN1CCCC1CNC1CC1.
What is the InChIKey of N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
The InChIKey is WZMOUPIWXWTWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2/c16-12-3-6-15(17)11(8-12)10-19-7-1-2-14(19)9-18-13-4-5-13/h3,6,8,13-14,18H,1-2,4-5,7,9-10H2.
What are the key properties of N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine has a molecular weight of 327.24 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62581260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).