[1-[(4-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methanamine

C12H12BrFN2 — CID 66409261

IUPAC[1-[(4-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methanamine
SMILESNCc1cccn1Cc1ccc(Br)cc1F
InChIInChI=1S/C12H12BrFN2/c13-10-4-3-9(12(14)6-10)8-16-5-1-2-11(16)7-15/h1-6H,7-8,15H2
InChIKeyDJBAGEIRLNMXJT-UHFFFAOYSA-N
MW283.14 g/mol
LogP2.90
Rot. Bonds3

About [1-[(4-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methanamine

[1-[(4-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methanamine (PubChem CID 66409261) has the molecular formula C12H12BrFN2 and a molecular weight of 283.14 g/mol. Its IUPAC name is [1-[(4-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methanamine
PubChem CID66409261
Molecular FormulaC12H12BrFN2
Molecular Weight283.14 g/mol
Exact Mass282.02
IUPAC Name[1-[(4-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methanamine
SMILESNCc1cccn1Cc1ccc(Br)cc1F
InChIInChI=1S/C12H12BrFN2/c13-10-4-3-9(12(14)6-10)8-16-5-1-2-11(16)7-15/h1-6H,7-8,15H2
InChIKeyDJBAGEIRLNMXJT-UHFFFAOYSA-N
XLogP2.90
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromo-2-fluorophenyl)methyl]pyrrole-2-carbothioamide
CID 114653640
N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402923
2-[1-[(4-bromo-2-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 10247079
1-[(4-bromo-2-fluorophenyl)methyl]indol-6-amine
CID 43438690
1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyrazine-2,3-dione
CID 55127512
3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 55035567
5-[(4-bromo-2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 113446773
1-[1-[(4-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]butan-2-amine
CID 114859185
1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine
CID 79101628
5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyridin-2-one
CID 79356172
[1-[(2,3-dichlorophenyl)methyl]pyrrol-2-yl]methanamine
CID 107307260
1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine
CID 65245079

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methanamine?
The IUPAC name of [1-[(4-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methanamine (CID 66409261) is [1-[(4-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methanamine.
What is the SMILES notation for [1-[(4-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methanamine?
The canonical SMILES for [1-[(4-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methanamine is NCc1cccn1Cc1ccc(Br)cc1F.
What is the InChIKey of [1-[(4-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methanamine?
The InChIKey is DJBAGEIRLNMXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2/c13-10-4-3-9(12(14)6-10)8-16-5-1-2-11(16)7-15/h1-6H,7-8,15H2.
What are the key properties of [1-[(4-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methanamine?
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methanamine has a molecular weight of 283.14 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methanamine is sourced from PubChem (CID 66409261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).