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

C17H21BrN2 — CID 104810501

IUPAC2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
SMILESCNCC(Cc1cccc(C)c1)Cc1ccc(Br)cn1
InChIInChI=1S/C17H21BrN2/c1-13-4-3-5-14(8-13)9-15(11-19-2)10-17-7-6-16(18)12-20-17/h3-8,12,15,19H,9-11H2,1-2H3
InChIKeyOTEVYYAEEMFIEY-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.77
Rot. Bonds6

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

2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine (PubChem CID 104810501) 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-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
PubChem CID104810501
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
SMILESCNCC(Cc1cccc(C)c1)Cc1ccc(Br)cn1
InChIInChI=1S/C17H21BrN2/c1-13-4-3-5-14(8-13)9-15(11-19-2)10-17-7-6-16(18)12-20-17/h3-8,12,15,19H,9-11H2,1-2H3
InChIKeyOTEVYYAEEMFIEY-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]-3-(3-methylphenyl)propan-1-amine
CID 104810370
2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 104810519
2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
CID 104810470
2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 63522087
[1-(5-bromo-2-pyridinyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105334652
2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol
CID 104813182
2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105408067
N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine
CID 55082726
5-bromo-2-[(3-methylphenyl)methylsulfanylmethyl]pyridine
CID 104809988
2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine
CID 104810378
2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 63523508
2-[(3-bromophenyl)methyl]-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 55143678

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine (CID 104810501) is 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine is CNCC(Cc1cccc(C)c1)Cc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine?
The InChIKey is OTEVYYAEEMFIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-13-4-3-5-14(8-13)9-15(11-19-2)10-17-7-6-16(18)12-20-17/h3-8,12,15,19H,9-11H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine?
2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-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-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 104810501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).