1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine

C15H17BrN2 — CID 113460863

IUPAC1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine
SMILESCc1cc(Br)cc(C(N)C(C)c2ccncc2)c1
InChIInChI=1S/C15H17BrN2/c1-10-7-13(9-14(16)8-10)15(17)11(2)12-3-5-18-6-4-12/h3-9,11,15H,17H2,1-2H3
InChIKeyFHJGQWDAAWOXAM-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.96
Rot. Bonds3

About 1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine

1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine (PubChem CID 113460863) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine
PubChem CID113460863
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine
SMILESCc1cc(Br)cc(C(N)C(C)c2ccncc2)c1
InChIInChI=1S/C15H17BrN2/c1-10-7-13(9-14(16)8-10)15(17)11(2)12-3-5-18-6-4-12/h3-9,11,15H,17H2,1-2H3
InChIKeyFHJGQWDAAWOXAM-UHFFFAOYSA-N
XLogP3.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 104853272
2-phenyl-1-pyridin-4-ylpropan-1-amine
CID 22301590
4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine
CID 113396078
1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66448707
1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine
CID 66447737
1-(furan-3-yl)-2-pyridin-4-ylpropan-1-amine
CID 66446369
1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-amine
CID 66447347
1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine
CID 66447741
4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine
CID 66453944
[(3-bromo-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320502
1-(3-bromo-5-methylphenyl)ethanol
CID 84680750
1-bromo-3-(1-chloroethyl)-5-methylbenzene
CID 130132226

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine (CID 113460863) is 1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine is Cc1cc(Br)cc(C(N)C(C)c2ccncc2)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine?
The InChIKey is FHJGQWDAAWOXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-10-7-13(9-14(16)8-10)15(17)11(2)12-3-5-18-6-4-12/h3-9,11,15H,17H2,1-2H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine?
1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine has a molecular weight of 305.22 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 113460863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).