2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol

C14H15BrN2O — CID 78928746

IUPAC2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCc2ccc(Br)cc2)n1
InChIInChI=1S/C14H15BrN2O/c1-10-2-7-14(18)13(17-10)9-16-8-11-3-5-12(15)6-4-11/h2-7,16,18H,8-9H2,1H3
InChIKeyDGSZWHDYWACDCM-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.15
Rot. Bonds4

About 2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol

2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol (PubChem CID 78928746) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol
PubChem CID78928746
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCc2ccc(Br)cc2)n1
InChIInChI=1S/C14H15BrN2O/c1-10-2-7-14(18)13(17-10)9-16-8-11-3-5-12(15)6-4-11/h2-7,16,18H,8-9H2,1H3
InChIKeyDGSZWHDYWACDCM-UHFFFAOYSA-N
XLogP3.15
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol
CID 78928434
6-methyl-2-[[(3-methylphenyl)methylamino]methyl]pyridin-3-ol
CID 78928518
2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol
CID 78928448
2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol
CID 103648527
2-[(2-hydroxyethylamino)methyl]-6-methylpyridin-3-ol
CID 78967327
2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol
CID 115614759
1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 105378223
6-methyl-2-[[(2-methylphenyl)methylamino]methyl]pyridin-3-ol
CID 78928537
2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol
CID 115866294
2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol
CID 63323686
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151204
2-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
CID 63044819

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol (CID 78928746) is 2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNCc2ccc(Br)cc2)n1.
What is the InChIKey of 2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol?
The InChIKey is DGSZWHDYWACDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10-2-7-14(18)13(17-10)9-16-8-11-3-5-12(15)6-4-11/h2-7,16,18H,8-9H2,1H3.
What are the key properties of 2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol?
2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol has a molecular weight of 307.19 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 78928746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).