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

C15H17BrN2 — CID 113455848

IUPAC3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(CN)Cc2ccc(Br)cn2)cc1
InChIInChI=1S/C15H17BrN2/c1-11-2-4-12(5-3-11)13(9-17)8-15-7-6-14(16)10-18-15/h2-7,10,13H,8-9,17H2,1H3
InChIKeySHQIJZQIVGHBKX-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.44
Rot. Bonds4

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

3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine (PubChem CID 113455848) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine
PubChem CID113455848
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(CN)Cc2ccc(Br)cn2)cc1
InChIInChI=1S/C15H17BrN2/c1-11-2-4-12(5-3-11)13(9-17)8-15-7-6-14(16)10-18-15/h2-7,10,13H,8-9,17H2,1H3
InChIKeySHQIJZQIVGHBKX-UHFFFAOYSA-N
XLogP3.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol
CID 104813197
2-(4-bromophenyl)-3-(4-methylphenyl)propan-1-amine
CID 79442413
5-bromo-2-(3-bromo-2-phenylpropyl)pyridine
CID 104813337
1-(4-bromo-3,5-dimethylphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114330336
2-phenyl-3-(5-phenyl-2-pyridinyl)propan-1-amine
CID 144927473
2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 104810370
1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 107980663
2-(5-bromo-2-pyridinyl)-1-(5-methylfuran-3-yl)ethanamine
CID 105036214
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 104801767
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 104810744
5-bromopyridin-2-amine;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 76903182

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine (CID 113455848) is 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine is Cc1ccc(C(CN)Cc2ccc(Br)cn2)cc1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine?
The InChIKey is SHQIJZQIVGHBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11-2-4-12(5-3-11)13(9-17)8-15-7-6-14(16)10-18-15/h2-7,10,13H,8-9,17H2,1H3.
What are the key properties of 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine?
3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine has a molecular weight of 305.22 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 113455848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).