2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine

C16H19BrN2 — CID 66274181

IUPAC2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1cnccc1C
InChIInChI=1S/C16H19BrN2/c1-3-19-16(15-11-18-9-8-12(15)2)10-13-4-6-14(17)7-5-13/h4-9,11,16,19H,3,10H2,1-2H3
InChIKeyIVYPFUKLVCJRQQ-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.05
Rot. Bonds5

About 2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine

2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine (PubChem CID 66274181) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
PubChem CID66274181
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1cnccc1C
InChIInChI=1S/C16H19BrN2/c1-3-19-16(15-11-18-9-8-12(15)2)10-13-4-6-14(17)7-5-13/h4-9,11,16,19H,3,10H2,1-2H3
InChIKeyIVYPFUKLVCJRQQ-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

2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273352
2-(4-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60820542
2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126121
N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
CID 66272697
N-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine
CID 66272071
N-ethyl-1-(4-methyl-3-pyridinyl)-2-pyridin-2-ylethanamine
CID 66273129
N-ethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 79405563
1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
CID 55087091
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878468
N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
CID 105164345
1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 65306974
2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105089739

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine (CID 66274181) is 2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine is CCNC(Cc1ccc(Br)cc1)c1cnccc1C.
What is the InChIKey of 2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine?
The InChIKey is IVYPFUKLVCJRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-3-19-16(15-11-18-9-8-12(15)2)10-13-4-6-14(17)7-5-13/h4-9,11,16,19H,3,10H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine?
2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine 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 2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 66274181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).