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

Brompheniramine
CID 6834
Zimelidine
CID 5365247
Dexbrompheniramine
CID 16960
Zimelidine Dihydrochloride
CID 6436006
Nomelidine
CID 5378630
N-Desmethylpheniramine
CID 161283
Norzimelidine
CID 6437872
Zimeldine hydrochloride
CID 6420041
2-(4-Bromophenyl)-5-pentylpyridine
CID 3092175
2-(6-Bromo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 22468064
(2R)-2-(6-bromo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 44362230
2-(4-Bromophenyl)-5-butylpyridine
CID 3126214

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).