1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine

C13H16BrN3 — CID 61323866

IUPAC1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
SMILESCC(NCCn1ccnc1)c1cccc(Br)c1
InChIInChI=1S/C13H16BrN3/c1-11(12-3-2-4-13(14)9-12)16-6-8-17-7-5-15-10-17/h2-5,7,9-11,16H,6,8H2,1H3
InChIKeyIDQRWWPDSPZFHN-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.00
Rot. Bonds5

About 1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine

1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine (PubChem CID 61323866) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
PubChem CID61323866
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
SMILESCC(NCCn1ccnc1)c1cccc(Br)c1
InChIInChI=1S/C13H16BrN3/c1-11(12-3-2-4-13(14)9-12)16-6-8-17-7-5-15-10-17/h2-5,7,9-11,16H,6,8H2,1H3
InChIKeyIDQRWWPDSPZFHN-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61324694
3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43773811
N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 60695962
3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43126793
3-[1-(3-imidazol-1-ylpropylamino)ethyl]benzonitrile
CID 43773848
3-[1-(3-imidazol-1-ylpropylamino)ethyl]benzenesulfonamide
CID 43773780
1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323680
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038
(1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82865696
N-[1-(3-bromophenyl)ethyl]butan-1-amine
CID 43192396
1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43673323
(2S)-4-[[(1S)-1-(3-bromophenyl)ethyl]amino]butan-2-ol
CID 96784164

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine (CID 61323866) is 1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine is CC(NCCn1ccnc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine?
The InChIKey is IDQRWWPDSPZFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-11(12-3-2-4-13(14)9-12)16-6-8-17-7-5-15-10-17/h2-5,7,9-11,16H,6,8H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine?
1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine has a molecular weight of 294.20 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine is sourced from PubChem (CID 61323866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).