4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline

C17H22BrN3 — CID 105181081

IUPAC4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
SMILESCCNC(Cc1ccc(Br)cn1)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H22BrN3/c1-4-19-17(11-15-8-7-14(18)12-20-15)13-5-9-16(10-6-13)21(2)3/h5-10,12,17,19H,4,11H2,1-3H3
InChIKeyDPKVIQUQRHVZIF-UHFFFAOYSA-N
MW348.29 g/mol
LogP3.80
Rot. Bonds6

About 4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline

4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline (PubChem CID 105181081) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is 4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
PubChem CID105181081
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC Name4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
SMILESCCNC(Cc1ccc(Br)cn1)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H22BrN3/c1-4-19-17(11-15-8-7-14(18)12-20-15)13-5-9-16(10-6-13)21(2)3/h5-10,12,17,19H,4,11H2,1-3H3
InChIKeyDPKVIQUQRHVZIF-UHFFFAOYSA-N
XLogP3.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105036487
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 104802174
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755829
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 104803663
N-[2-(5-bromo-2-pyridinyl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 104800981
4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline
CID 105159159
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107977346
N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 105036368
4-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105139649
2-(5-bromo-2-pyridinyl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 105036305
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 104803642
2-(5-bromo-2-pyridinyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 105036461

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline (CID 105181081) is 4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline is CCNC(Cc1ccc(Br)cn1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline?
The InChIKey is DPKVIQUQRHVZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-4-19-17(11-15-8-7-14(18)12-20-15)13-5-9-16(10-6-13)21(2)3/h5-10,12,17,19H,4,11H2,1-3H3.
What are the key properties of 4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline?
4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline has a molecular weight of 348.29 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105181081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).