N-bromo-N-[(4-methoxyphenyl)methyl]pyridin-4-amine

C13H13BrN2O — CID 171481716

IUPACN-bromo-N-[(4-methoxyphenyl)methyl]pyridin-4-amine
SMILESCOc1ccc(CN(Br)c2ccncc2)cc1
InChIInChI=1S/C13H13BrN2O/c1-17-13-4-2-11(3-5-13)10-16(14)12-6-8-15-9-7-12/h2-9H,10H2,1H3
InChIKeyAOVOGOVTZRIGGO-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.41
Rot. Bonds4

About N-bromo-N-[(4-methoxyphenyl)methyl]pyridin-4-amine

N-bromo-N-[(4-methoxyphenyl)methyl]pyridin-4-amine (PubChem CID 171481716) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is N-bromo-N-[(4-methoxyphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-bromo-N-[(4-methoxyphenyl)methyl]pyridin-4-amine
PubChem CID171481716
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC NameN-bromo-N-[(4-methoxyphenyl)methyl]pyridin-4-amine
SMILESCOc1ccc(CN(Br)c2ccncc2)cc1
InChIInChI=1S/C13H13BrN2O/c1-17-13-4-2-11(3-5-13)10-16(14)12-6-8-15-9-7-12/h2-9H,10H2,1H3
InChIKeyAOVOGOVTZRIGGO-UHFFFAOYSA-N
XLogP3.41
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
CID 156593877
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241
[4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol
CID 170025838
1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine
CID 166042056
4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine
CID 63016470
N-(4-methoxyphenyl)-N-methyl-2-pyridin-4-ylacetamide
CID 110468130
2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936
5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
CID 80730531
4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 139548865
N-(4-methoxyphenyl)-N-[4-(pyridin-4-ylmethylsulfanyl)phenyl]nitrous amide
CID 142234430

Frequently Asked Questions

What is the IUPAC name of N-bromo-N-[(4-methoxyphenyl)methyl]pyridin-4-amine?
The IUPAC name of N-bromo-N-[(4-methoxyphenyl)methyl]pyridin-4-amine (CID 171481716) is N-bromo-N-[(4-methoxyphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for N-bromo-N-[(4-methoxyphenyl)methyl]pyridin-4-amine?
The canonical SMILES for N-bromo-N-[(4-methoxyphenyl)methyl]pyridin-4-amine is COc1ccc(CN(Br)c2ccncc2)cc1.
What is the InChIKey of N-bromo-N-[(4-methoxyphenyl)methyl]pyridin-4-amine?
The InChIKey is AOVOGOVTZRIGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-17-13-4-2-11(3-5-13)10-16(14)12-6-8-15-9-7-12/h2-9H,10H2,1H3.
What are the key properties of N-bromo-N-[(4-methoxyphenyl)methyl]pyridin-4-amine?
N-bromo-N-[(4-methoxyphenyl)methyl]pyridin-4-amine has a molecular weight of 293.16 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-[(4-methoxyphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 171481716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).