1-(5-bromo-2-pyridinyl)-N-ethyl-2-pyridin-3-ylethanamine

C14H16BrN3 — CID 104736768

IUPAC1-(5-bromo-2-pyridinyl)-N-ethyl-2-pyridin-3-ylethanamine
SMILESCCNC(Cc1cccnc1)c1ccc(Br)cn1
InChIInChI=1S/C14H16BrN3/c1-2-17-14(8-11-4-3-7-16-9-11)13-6-5-12(15)10-18-13/h3-7,9-10,14,17H,2,8H2,1H3
InChIKeyQNTPNXSAFOJIBU-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.13
Rot. Bonds5

About 1-(5-bromo-2-pyridinyl)-N-ethyl-2-pyridin-3-ylethanamine

1-(5-bromo-2-pyridinyl)-N-ethyl-2-pyridin-3-ylethanamine (PubChem CID 104736768) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-ethyl-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-ethyl-2-pyridin-3-ylethanamine
PubChem CID104736768
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name1-(5-bromo-2-pyridinyl)-N-ethyl-2-pyridin-3-ylethanamine
SMILESCCNC(Cc1cccnc1)c1ccc(Br)cn1
InChIInChI=1S/C14H16BrN3/c1-2-17-14(8-11-4-3-7-16-9-11)13-6-5-12(15)10-18-13/h3-7,9-10,14,17H,2,8H2,1H3
InChIKeyQNTPNXSAFOJIBU-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 107946692
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723771
1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 105034516
N-ethyl-1-(4-methylphenyl)-2-pyridin-3-ylethanamine
CID 62551907
1-(5-chlorofuran-2-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 106693011
1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 105034466
1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551546
N-ethyl-1-(2-ethylphenyl)-2-pyridin-3-ylethanamine
CID 105034649
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104801439
1-(2,3-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 62791096
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanamine
CID 116544214
1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348314

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-ethyl-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-ethyl-2-pyridin-3-ylethanamine (CID 104736768) is 1-(5-bromo-2-pyridinyl)-N-ethyl-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-ethyl-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-ethyl-2-pyridin-3-ylethanamine is CCNC(Cc1cccnc1)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-ethyl-2-pyridin-3-ylethanamine?
The InChIKey is QNTPNXSAFOJIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-2-17-14(8-11-4-3-7-16-9-11)13-6-5-12(15)10-18-13/h3-7,9-10,14,17H,2,8H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-ethyl-2-pyridin-3-ylethanamine?
1-(5-bromo-2-pyridinyl)-N-ethyl-2-pyridin-3-ylethanamine has a molecular weight of 306.21 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N-ethyl-2-pyridin-3-ylethanamine is sourced from PubChem (CID 104736768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).