2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine

C17H21BrN2 — CID 104810519

IUPAC2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine
SMILESCNCC(Cc1ccc(Br)cn1)Cc1ccccc1C
InChIInChI=1S/C17H21BrN2/c1-13-5-3-4-6-15(13)9-14(11-19-2)10-17-8-7-16(18)12-20-17/h3-8,12,14,19H,9-11H2,1-2H3
InChIKeyAYGDXKOCRJCKDP-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.77
Rot. Bonds6

About 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine

2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine (PubChem CID 104810519) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine
PubChem CID104810519
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine
SMILESCNCC(Cc1ccc(Br)cn1)Cc1ccccc1C
InChIInChI=1S/C17H21BrN2/c1-13-5-3-4-6-15(13)9-14(11-19-2)10-17-8-7-16(18)12-20-17/h3-8,12,14,19H,9-11H2,1-2H3
InChIKeyAYGDXKOCRJCKDP-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-pyridinyl)methyl]-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 104810521
2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
CID 104810470
2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 104810501
N-methyl-2-[(2-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62515440
2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 63521754
N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 104810744
2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105036525
2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine
CID 104810480
2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 104572904
2-[(4-bromophenyl)methyl]-3-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 63523328
(1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375023
2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine
CID 113454817

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine (CID 104810519) is 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine is CNCC(Cc1ccc(Br)cn1)Cc1ccccc1C.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine?
The InChIKey is AYGDXKOCRJCKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-13-5-3-4-6-15(13)9-14(11-19-2)10-17-8-7-16(18)12-20-17/h3-8,12,14,19H,9-11H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine?
2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine has a molecular weight of 333.27 g/mol, XLogP of 3.77, 6 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)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 104810519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).