2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

C18H21BrN2 — CID 104802066

IUPAC2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCNC(Cc1ccc(Br)cn1)C1CCCc2ccccc21
InChIInChI=1S/C18H21BrN2/c1-20-18(11-15-10-9-14(19)12-21-15)17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,9-10,12,17-18,20H,4,6,8,11H2,1H3
InChIKeyOWDWUDJDAADMDP-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.09
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (PubChem CID 104802066) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
PubChem CID104802066
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCNC(Cc1ccc(Br)cn1)C1CCCc2ccccc21
InChIInChI=1S/C18H21BrN2/c1-20-18(11-15-10-9-14(19)12-21-15)17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,9-10,12,17-18,20H,4,6,8,11H2,1H3
InChIKeyOWDWUDJDAADMDP-UHFFFAOYSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(5-bromo-2-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105218838
2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine
CID 65404361
N-methyl-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 63251085
2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine
CID 65404945
2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 104802480
2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105181039
N-methyl-1-pyrimidin-5-yl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63250535
2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 113455010
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromo-2-pyridinyl)ethanol
CID 115833216
[2-(2-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105218856
N-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
CID 63509295
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 82868525

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (CID 104802066) is 2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is CNC(Cc1ccc(Br)cn1)C1CCCc2ccccc21.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The InChIKey is OWDWUDJDAADMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-20-18(11-15-10-9-14(19)12-21-15)17-8-4-6-13-5-2-3-7-16(13)17/h2-3,5,7,9-10,12,17-18,20H,4,6,8,11H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine has a molecular weight of 345.28 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 104802066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).