N-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine

C14H16BrN3 — CID 115877394

IUPACN-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1cncc(Br)c1
InChIInChI=1S/C14H16BrN3/c1-18(7-5-14-4-2-3-6-17-14)11-12-8-13(15)10-16-9-12/h2-4,6,8-10H,5,7,11H2,1H3
InChIKeyAAZFROBYHJCCDR-UHFFFAOYSA-N
MW306.21 g/mol
LogP2.91
Rot. Bonds5

About N-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine

N-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine (PubChem CID 115877394) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
PubChem CID115877394
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1cncc(Br)c1
InChIInChI=1S/C14H16BrN3/c1-18(7-5-14-4-2-3-6-17-14)11-12-8-13(15)10-16-9-12/h2-4,6,8-10H,5,7,11H2,1H3
InChIKeyAAZFROBYHJCCDR-UHFFFAOYSA-N
XLogP2.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 2055754
N-[(2-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 779150
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
N-methyl-2-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438267
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyridin-2-ylethanamine
CID 62419205
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104531868
N-[(3,5-dichloro-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 75517351
2-iodo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 4662476
4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbothioamide
CID 63883435
1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
CID 60712627

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine (CID 115877394) is N-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine is CN(CCc1ccccn1)Cc1cncc(Br)c1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is AAZFROBYHJCCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-18(7-5-14-4-2-3-6-17-14)11-12-8-13(15)10-16-9-12/h2-4,6,8-10H,5,7,11H2,1H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine?
N-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 306.21 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 115877394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).