N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine

C16H18Br2N2 — CID 107946176

IUPACN-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)c1ccc(Br)cc1Br
InChIInChI=1S/C16H18Br2N2/c1-2-7-20-16(10-12-5-8-19-9-6-12)14-4-3-13(17)11-15(14)18/h3-6,8-9,11,16,20H,2,7,10H2,1H3
InChIKeyVNLJCRDSOHWPSK-UHFFFAOYSA-N
MW398.14 g/mol
LogP4.89
Rot. Bonds6

About N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine

N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine (PubChem CID 107946176) has the molecular formula C16H18Br2N2 and a molecular weight of 398.14 g/mol. Its IUPAC name is N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine
PubChem CID107946176
Molecular FormulaC16H18Br2N2
Molecular Weight398.14 g/mol
Exact Mass395.98
IUPAC NameN-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)c1ccc(Br)cc1Br
InChIInChI=1S/C16H18Br2N2/c1-2-7-20-16(10-12-5-8-19-9-6-12)14-4-3-13(17)11-15(14)18/h3-6,8-9,11,16,20H,2,7,10H2,1H3
InChIKeyVNLJCRDSOHWPSK-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.14
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107944998
N-[1-(2,4-dibromophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 107950457
N-[2-(5-bromo-2-pyridinyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107946720
N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 107945447
1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine
CID 107944978
N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107945453
N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63415176
N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63526553
N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62791433
1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 115369494
N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946178
N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63528081

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine (CID 107946176) is N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine is CCCNC(Cc1ccncc1)c1ccc(Br)cc1Br.
What is the InChIKey of N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine?
The InChIKey is VNLJCRDSOHWPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Br2N2/c1-2-7-20-16(10-12-5-8-19-9-6-12)14-4-3-13(17)11-15(14)18/h3-6,8-9,11,16,20H,2,7,10H2,1H3.
What are the key properties of N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine?
N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine has a molecular weight of 398.14 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 107946176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).