N-[1-(4-bromophenyl)ethyl]pyrrol-1-amine

C12H13BrN2 — CID 79090605

IUPACN-[1-(4-bromophenyl)ethyl]pyrrol-1-amine
SMILESCC(Nn1cccc1)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2/c1-10(14-15-8-2-3-9-15)11-4-6-12(13)7-5-11/h2-10,14H,1H3
InChIKeyHDXWKHZFKUUMFH-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.56
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]pyrrol-1-amine

N-[1-(4-bromophenyl)ethyl]pyrrol-1-amine (PubChem CID 79090605) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]pyrrol-1-amine
PubChem CID79090605
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC NameN-[1-(4-bromophenyl)ethyl]pyrrol-1-amine
SMILESCC(Nn1cccc1)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2/c1-10(14-15-8-2-3-9-15)11-4-6-12(13)7-5-11/h2-10,14H,1H3
InChIKeyHDXWKHZFKUUMFH-UHFFFAOYSA-N
XLogP3.56
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrol-1-amine
CID 82964793
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43712840
1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
CID 81373795
(1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81355146
N-[(1S)-1-(4-bromophenyl)ethyl]-1,1-dimethoxypropan-2-amine
CID 81360171
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 81359219
N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30111376
(1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 81359776
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
N-[1-(4-bromophenyl)ethyl]-1-methylimidazol-2-amine
CID 62133310

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]pyrrol-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]pyrrol-1-amine (CID 79090605) is N-[1-(4-bromophenyl)ethyl]pyrrol-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]pyrrol-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]pyrrol-1-amine is CC(Nn1cccc1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]pyrrol-1-amine?
The InChIKey is HDXWKHZFKUUMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c1-10(14-15-8-2-3-9-15)11-4-6-12(13)7-5-11/h2-10,14H,1H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]pyrrol-1-amine?
N-[1-(4-bromophenyl)ethyl]pyrrol-1-amine has a molecular weight of 265.15 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]pyrrol-1-amine is sourced from PubChem (CID 79090605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).