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

C16H19BrN2 — CID 104801901

IUPAC1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine
SMILESCc1ccc(CC(N)Cc2ccc(Br)cn2)cc1C
InChIInChI=1S/C16H19BrN2/c1-11-3-4-13(7-12(11)2)8-15(18)9-16-6-5-14(17)10-19-16/h3-7,10,15H,8-9,18H2,1-2H3
InChIKeyLPMWQLXTFQBBQL-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.57
Rot. Bonds4

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

1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine (PubChem CID 104801901) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine
PubChem CID104801901
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine
SMILESCc1ccc(CC(N)Cc2ccc(Br)cn2)cc1C
InChIInChI=1S/C16H19BrN2/c1-11-3-4-13(7-12(11)2)8-15(18)9-16-6-5-14(17)10-19-16/h3-7,10,15H,8-9,18H2,1-2H3
InChIKeyLPMWQLXTFQBBQL-UHFFFAOYSA-N
XLogP3.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 104801904
1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine
CID 104801802
1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114330336
1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine
CID 104801563
1-(3-bromo-4-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899973
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)-5,5,5-trifluoropentan-2-amine
CID 104803305
1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine
CID 104802296
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
CID 113454867
2-(5-bromo-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 104803573
2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 104810370

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine (CID 104801901) is 1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine is Cc1ccc(CC(N)Cc2ccc(Br)cn2)cc1C.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine?
The InChIKey is LPMWQLXTFQBBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-11-3-4-13(7-12(11)2)8-15(18)9-16-6-5-14(17)10-19-16/h3-7,10,15H,8-9,18H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine?
1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine has a molecular weight of 319.25 g/mol, XLogP of 3.57, 4 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)propan-2-amine is sourced from PubChem (CID 104801901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).