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

C17H21BrN2 — CID 104853272

IUPAC1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
SMILESCCNC(c1cc(C)cc(Br)c1)C(C)c1ccncc1
InChIInChI=1S/C17H21BrN2/c1-4-20-17(13(3)14-5-7-19-8-6-14)15-9-12(2)10-16(18)11-15/h5-11,13,17,20H,4H2,1-3H3
InChIKeyIHRVULLBJSYJGK-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.61
Rot. Bonds5

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

1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine (PubChem CID 104853272) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
PubChem CID104853272
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
SMILESCCNC(c1cc(C)cc(Br)c1)C(C)c1ccncc1
InChIInChI=1S/C17H21BrN2/c1-4-20-17(13(3)14-5-7-19-8-6-14)15-9-12(2)10-16(18)11-15/h5-11,13,17,20H,4H2,1-3H3
InChIKeyIHRVULLBJSYJGK-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446193
1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine
CID 113460863
1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446400
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 107955410
1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446581
1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 106854815
N-ethyl-2-methyl-1-pyridin-4-ylpropan-1-amine
CID 60820043
N-[(3-bromo-5-methylphenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 104851219
N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-4-ylpropan-1-amine
CID 79218018
1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446195
4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine
CID 113396078
N-ethyl-2-methyl-1-pyridin-4-ylpentan-1-amine
CID 107893389

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine (CID 104853272) is 1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine is CCNC(c1cc(C)cc(Br)c1)C(C)c1ccncc1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine?
The InChIKey is IHRVULLBJSYJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-4-20-17(13(3)14-5-7-19-8-6-14)15-9-12(2)10-16(18)11-15/h5-11,13,17,20H,4H2,1-3H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine?
1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine has a molecular weight of 333.27 g/mol, XLogP of 4.61, 5 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)-N-ethyl-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 104853272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).