[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine

C11H14BrFN2 — CID 43119509

IUPAC[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2ccc(F)cc2Br)C1
InChIInChI=1S/C11H14BrFN2/c12-10-5-9(13)1-2-11(10)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2
InChIKeyBXJQNSZHZPBTPB-UHFFFAOYSA-N
MW273.15 g/mol
LogP2.37
Rot. Bonds2

About [1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine

[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine (PubChem CID 43119509) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is [1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine
PubChem CID43119509
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2ccc(F)cc2Br)C1
InChIInChI=1S/C11H14BrFN2/c12-10-5-9(13)1-2-11(10)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2
InChIKeyBXJQNSZHZPBTPB-UHFFFAOYSA-N
XLogP2.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methanamine
CID 61474220
[1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine
CID 79766665
N-[[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512249
[1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine
CID 81280509
[1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine
CID 43114257
1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine
CID 60861637
[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 107600716
[1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine
CID 61076640
4-[4-(aminomethyl)piperidin-1-yl]-3-bromobenzonitrile
CID 79018753
N-[[1-(2-bromo-5-fluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107636418
2-[1-(4-amino-2-bromophenyl)pyrrolidin-3-yl]ethanol
CID 114796896
[1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine
CID 43126275

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine (CID 43119509) is [1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine is NCC1CCN(c2ccc(F)cc2Br)C1.
What is the InChIKey of [1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is BXJQNSZHZPBTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c12-10-5-9(13)1-2-11(10)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2.
What are the key properties of [1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine?
[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 273.15 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 43119509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).