N-[1-(5-bromo-2-pyridinyl)-2-(3-methoxyphenyl)ethyl]methanimine

C15H15BrN2O — CID 150596003

IUPACN-[1-(5-bromo-2-pyridinyl)-2-(3-methoxyphenyl)ethyl]methanimine
SMILESC=NC(Cc1cccc(OC)c1)c1ccc(Br)cn1
InChIInChI=1S/C15H15BrN2O/c1-17-15(14-7-6-12(16)10-18-14)9-11-4-3-5-13(8-11)19-2/h3-8,10,15H,1,9H2,2H3
InChIKeyIQWDLGZCPNWAGZ-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.84
Rot. Bonds5

About N-[1-(5-bromo-2-pyridinyl)-2-(3-methoxyphenyl)ethyl]methanimine

N-[1-(5-bromo-2-pyridinyl)-2-(3-methoxyphenyl)ethyl]methanimine (PubChem CID 150596003) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-[1-(5-bromo-2-pyridinyl)-2-(3-methoxyphenyl)ethyl]methanimine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-pyridinyl)-2-(3-methoxyphenyl)ethyl]methanimine
PubChem CID150596003
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-[1-(5-bromo-2-pyridinyl)-2-(3-methoxyphenyl)ethyl]methanimine
SMILESC=NC(Cc1cccc(OC)c1)c1ccc(Br)cn1
InChIInChI=1S/C15H15BrN2O/c1-17-15(14-7-6-12(16)10-18-14)9-11-4-3-5-13(8-11)19-2/h3-8,10,15H,1,9H2,2H3
InChIKeyIQWDLGZCPNWAGZ-UHFFFAOYSA-N
XLogP3.84
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine
CID 104810378
[(5-bromo-2-pyridinyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105267769
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 61263481
1-bromo-4-[1-chloro-3-(3-methoxyphenyl)propan-2-yl]benzene
CID 79434768
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine
CID 62600114
5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954224
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
CID 61227713
1-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
CID 43311411
1-(5-bromo-2-chlorophenyl)-2-(3-methoxyphenyl)ethanol
CID 63018644

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-pyridinyl)-2-(3-methoxyphenyl)ethyl]methanimine?
The IUPAC name of N-[1-(5-bromo-2-pyridinyl)-2-(3-methoxyphenyl)ethyl]methanimine (CID 150596003) is N-[1-(5-bromo-2-pyridinyl)-2-(3-methoxyphenyl)ethyl]methanimine.
What is the SMILES notation for N-[1-(5-bromo-2-pyridinyl)-2-(3-methoxyphenyl)ethyl]methanimine?
The canonical SMILES for N-[1-(5-bromo-2-pyridinyl)-2-(3-methoxyphenyl)ethyl]methanimine is C=NC(Cc1cccc(OC)c1)c1ccc(Br)cn1.
What is the InChIKey of N-[1-(5-bromo-2-pyridinyl)-2-(3-methoxyphenyl)ethyl]methanimine?
The InChIKey is IQWDLGZCPNWAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-17-15(14-7-6-12(16)10-18-14)9-11-4-3-5-13(8-11)19-2/h3-8,10,15H,1,9H2,2H3.
What are the key properties of N-[1-(5-bromo-2-pyridinyl)-2-(3-methoxyphenyl)ethyl]methanimine?
N-[1-(5-bromo-2-pyridinyl)-2-(3-methoxyphenyl)ethyl]methanimine has a molecular weight of 319.20 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-pyridinyl)-2-(3-methoxyphenyl)ethyl]methanimine is sourced from PubChem (CID 150596003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).