N-[(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methyl]ethanamine

C14H13BrCl2N2 — CID 43492810

IUPACN-[(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cncc(Br)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13BrCl2N2/c1-2-19-14(10-5-11(15)8-18-7-10)9-3-4-12(16)13(17)6-9/h3-8,14,19H,2H2,1H3
InChIKeyOMRHJOGGFAVHJS-UHFFFAOYSA-N
MW360.08 g/mol
LogP4.85
Rot. Bonds4

About N-[(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methyl]ethanamine

N-[(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methyl]ethanamine (PubChem CID 43492810) has the molecular formula C14H13BrCl2N2 and a molecular weight of 360.08 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methyl]ethanamine
PubChem CID43492810
Molecular FormulaC14H13BrCl2N2
Molecular Weight360.08 g/mol
Exact Mass357.96
IUPAC NameN-[(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1cncc(Br)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13BrCl2N2/c1-2-19-14(10-5-11(15)8-18-7-10)9-3-4-12(16)13(17)6-9/h3-8,14,19H,2H2,1H3
InChIKeyOMRHJOGGFAVHJS-UHFFFAOYSA-N
XLogP4.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.08
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-5-methylphenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 104851219
N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491461
N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492862
N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 107944930
N-[(3-chloro-4-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374528
N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492861
N-[(4-chloro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105026066
N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
CID 43492782
N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62537896
N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492874
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methyl]ethanamine (CID 43492810) is N-[(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methyl]ethanamine is CCNC(c1cncc(Br)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methyl]ethanamine?
The InChIKey is OMRHJOGGFAVHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2N2/c1-2-19-14(10-5-11(15)8-18-7-10)9-3-4-12(16)13(17)6-9/h3-8,14,19H,2H2,1H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methyl]ethanamine?
N-[(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methyl]ethanamine has a molecular weight of 360.08 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 43492810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).