3-[bis(pyridin-2-ylmethyl)amino]-4-methylphenol

C19H19N3O — CID 22223339

IUPAC3-[bis(pyridin-2-ylmethyl)amino]-4-methylphenol
SMILESCc1ccc(O)cc1N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C19H19N3O/c1-15-8-9-18(23)12-19(15)22(13-16-6-2-4-10-20-16)14-17-7-3-5-11-21-17/h2-12,23H,13-14H2,1H3
InChIKeyGDHAOTXFFMOSKG-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.70
Rot. Bonds5

About 3-[bis(pyridin-2-ylmethyl)amino]-4-methylphenol

3-[bis(pyridin-2-ylmethyl)amino]-4-methylphenol (PubChem CID 22223339) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[bis(pyridin-2-ylmethyl)amino]-4-methylphenol.

Molecular Properties

Compound Name3-[bis(pyridin-2-ylmethyl)amino]-4-methylphenol
PubChem CID22223339
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-[bis(pyridin-2-ylmethyl)amino]-4-methylphenol
SMILESCc1ccc(O)cc1N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C19H19N3O/c1-15-8-9-18(23)12-19(15)22(13-16-6-2-4-10-20-16)14-17-7-3-5-11-21-17/h2-12,23H,13-14H2,1H3
InChIKeyGDHAOTXFFMOSKG-UHFFFAOYSA-N
XLogP3.70
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis[bis(pyridin-2-ylmethyl)amino]-4-propan-2-ylphenol
CID 138529941
N'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 43318808
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
5-amino-N,2-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 61291923
1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 103590580
1-[[2-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]-7-methylnaphthalen-2-ol
CID 163854351
2-[[bis(pyridin-2-ylmethyl)amino]methyl]-6-methylphenol
CID 169201495
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 81259129
2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 102189250

Frequently Asked Questions

What is the IUPAC name of 3-[bis(pyridin-2-ylmethyl)amino]-4-methylphenol?
The IUPAC name of 3-[bis(pyridin-2-ylmethyl)amino]-4-methylphenol (CID 22223339) is 3-[bis(pyridin-2-ylmethyl)amino]-4-methylphenol.
What is the SMILES notation for 3-[bis(pyridin-2-ylmethyl)amino]-4-methylphenol?
The canonical SMILES for 3-[bis(pyridin-2-ylmethyl)amino]-4-methylphenol is Cc1ccc(O)cc1N(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 3-[bis(pyridin-2-ylmethyl)amino]-4-methylphenol?
The InChIKey is GDHAOTXFFMOSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-15-8-9-18(23)12-19(15)22(13-16-6-2-4-10-20-16)14-17-7-3-5-11-21-17/h2-12,23H,13-14H2,1H3.
What are the key properties of 3-[bis(pyridin-2-ylmethyl)amino]-4-methylphenol?
3-[bis(pyridin-2-ylmethyl)amino]-4-methylphenol has a molecular weight of 305.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(pyridin-2-ylmethyl)amino]-4-methylphenol is sourced from PubChem (CID 22223339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).