5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine

C15H17BrN2O2 — CID 133318444

IUPAC5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine
SMILESCOCCOc1cccc(CNc2cncc(Br)c2)c1
InChIInChI=1S/C15H17BrN2O2/c1-19-5-6-20-15-4-2-3-12(7-15)9-18-14-8-13(16)10-17-11-14/h2-4,7-8,10-11,18H,5-6,9H2,1H3
InChIKeyVCLPSMUBQDRPAP-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.48
Rot. Bonds7

About 5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine

5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine (PubChem CID 133318444) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine
PubChem CID133318444
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine
SMILESCOCCOc1cccc(CNc2cncc(Br)c2)c1
InChIInChI=1S/C15H17BrN2O2/c1-19-5-6-20-15-4-2-3-12(7-15)9-18-14-8-13(16)10-17-11-14/h2-4,7-8,10-11,18H,5-6,9H2,1H3
InChIKeyVCLPSMUBQDRPAP-UHFFFAOYSA-N
XLogP3.48
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60934782
2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine
CID 133374314
4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 43734134
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
N-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 75400539
5-bromo-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridin-3-amine
CID 133328409
3-chloro-4-fluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39446920
1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 113454072
N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60935517
3-(2-phenoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800842
N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline
CID 63204186
4-bromo-2-fluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 166179858

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine (CID 133318444) is 5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine is COCCOc1cccc(CNc2cncc(Br)c2)c1.
What is the InChIKey of 5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine?
The InChIKey is VCLPSMUBQDRPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-19-5-6-20-15-4-2-3-12(7-15)9-18-14-8-13(16)10-17-11-14/h2-4,7-8,10-11,18H,5-6,9H2,1H3.
What are the key properties of 5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine?
5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine has a molecular weight of 337.22 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 133318444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).