1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine

C16H19BrN2 — CID 105034516

IUPAC1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine
SMILESCCNC(Cc1cccnc1)c1cccc(Br)c1C
InChIInChI=1S/C16H19BrN2/c1-3-19-16(10-13-6-5-9-18-11-13)14-7-4-8-15(17)12(14)2/h4-9,11,16,19H,3,10H2,1-2H3
InChIKeyCHUAHDAUSBMMOK-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.05
Rot. Bonds5

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

1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine (PubChem CID 105034516) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine
PubChem CID105034516
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine
SMILESCCNC(Cc1cccnc1)c1cccc(Br)c1C
InChIInChI=1S/C16H19BrN2/c1-3-19-16(10-13-6-5-9-18-11-13)14-7-4-8-15(17)12(14)2/h4-9,11,16,19H,3,10H2,1-2H3
InChIKeyCHUAHDAUSBMMOK-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 62791096
N-ethyl-1-(2-ethylphenyl)-2-pyridin-3-ylethanamine
CID 105034649
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 106647869
N-ethyl-1-(4-methylphenyl)-2-pyridin-3-ylethanamine
CID 62551907
1-(3-bromo-2-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834241
1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine
CID 115832741
1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 105034466
1-(5-bromo-2-pyridinyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 104736768
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-2-pyridin-3-ylethanamine
CID 105179958
1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 105019688
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanamine
CID 116544214
[1-(3-bromo-2-fluorophenyl)-2-pyridin-3-ylethyl]hydrazine
CID 106648787

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine (CID 105034516) is 1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine is CCNC(Cc1cccnc1)c1cccc(Br)c1C.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine?
The InChIKey is CHUAHDAUSBMMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-3-19-16(10-13-6-5-9-18-11-13)14-7-4-8-15(17)12(14)2/h4-9,11,16,19H,3,10H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine?
1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine has a molecular weight of 319.25 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine is sourced from PubChem (CID 105034516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).