1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine

C17H21BrN2 — CID 104801904

IUPAC1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(C)c(C)c1)Cc1ccc(Br)cn1
InChIInChI=1S/C17H21BrN2/c1-12-4-5-14(8-13(12)2)9-17(19-3)10-16-7-6-15(18)11-20-16/h4-8,11,17,19H,9-10H2,1-3H3
InChIKeyFPSIYHXVDSMECF-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.83
Rot. Bonds5

About 1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine

1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine (PubChem CID 104801904) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
PubChem CID104801904
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(C)c(C)c1)Cc1ccc(Br)cn1
InChIInChI=1S/C17H21BrN2/c1-12-4-5-14(8-13(12)2)9-17(19-3)10-16-7-6-15(18)11-20-16/h4-8,11,17,19H,9-10H2,1-3H3
InChIKeyFPSIYHXVDSMECF-UHFFFAOYSA-N
XLogP3.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 104801901
1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 104801496
1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415497
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 104801767
1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine
CID 105036421
1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64771393
5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine
CID 115146736
N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 105036368
1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine
CID 104801503
1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
CID 104801214
1-(5-bromo-2-pyridinyl)-N-methyl-4-propoxybutan-2-amine
CID 105180890
1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 105036122

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine (CID 104801904) is 1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine is CNC(Cc1ccc(C)c(C)c1)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine?
The InChIKey is FPSIYHXVDSMECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-12-4-5-14(8-13(12)2)9-17(19-3)10-16-7-6-15(18)11-20-16/h4-8,11,17,19H,9-10H2,1-3H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine?
1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine has a molecular weight of 333.27 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 104801904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).