N-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrol-1-amine

C12H12BrFN2 — CID 82964793

IUPACN-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrol-1-amine
SMILESCC(Nn1cccc1)c1ccc(Br)cc1F
InChIInChI=1S/C12H12BrFN2/c1-9(15-16-6-2-3-7-16)11-5-4-10(13)8-12(11)14/h2-9,15H,1H3
InChIKeyQNYRZTNOJGBXQV-UHFFFAOYSA-N
MW283.14 g/mol
LogP3.69
Rot. Bonds3

About N-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrol-1-amine

N-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrol-1-amine (PubChem CID 82964793) has the molecular formula C12H12BrFN2 and a molecular weight of 283.14 g/mol. Its IUPAC name is N-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrol-1-amine
PubChem CID82964793
Molecular FormulaC12H12BrFN2
Molecular Weight283.14 g/mol
Exact Mass282.02
IUPAC NameN-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrol-1-amine
SMILESCC(Nn1cccc1)c1ccc(Br)cc1F
InChIInChI=1S/C12H12BrFN2/c1-9(15-16-6-2-3-7-16)11-5-4-10(13)8-12(11)14/h2-9,15H,1H3
InChIKeyQNYRZTNOJGBXQV-UHFFFAOYSA-N
XLogP3.69
TPSA16.96 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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-bromophenyl)ethanamine
CID 82963517
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,2-difluoroethanamine
CID 82964200
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline
CID 82961349
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 82961496
4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline
CID 82962050
(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 82963738
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 82963187
[1-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopropyl]methanol
CID 91660867
N-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine
CID 82964453
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107850002
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 82964670

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrol-1-amine?
The IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrol-1-amine (CID 82964793) is N-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrol-1-amine.
What is the SMILES notation for N-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrol-1-amine?
The canonical SMILES for N-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrol-1-amine is CC(Nn1cccc1)c1ccc(Br)cc1F.
What is the InChIKey of N-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrol-1-amine?
The InChIKey is QNYRZTNOJGBXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2/c1-9(15-16-6-2-3-7-16)11-5-4-10(13)8-12(11)14/h2-9,15H,1H3.
What are the key properties of N-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrol-1-amine?
N-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrol-1-amine has a molecular weight of 283.14 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrol-1-amine is sourced from PubChem (CID 82964793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).