3-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]phenol

C15H19N3O — CID 51102171

IUPAC3-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]phenol
SMILESCN(C)c1ncccc1CNCc1cccc(O)c1
InChIInChI=1S/C15H19N3O/c1-18(2)15-13(6-4-8-17-15)11-16-10-12-5-3-7-14(19)9-12/h3-9,16,19H,10-11H2,1-2H3
InChIKeyWROLZXOYEKGAFE-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.14
Rot. Bonds5

About 3-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]phenol

3-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]phenol (PubChem CID 51102171) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]phenol
PubChem CID51102171
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]phenol
SMILESCN(C)c1ncccc1CNCc1cccc(O)c1
InChIInChI=1S/C15H19N3O/c1-18(2)15-13(6-4-8-17-15)11-16-10-12-5-3-7-14(19)9-12/h3-9,16,19H,10-11H2,1-2H3
InChIKeyWROLZXOYEKGAFE-UHFFFAOYSA-N
XLogP2.14
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[(4-Methyl-2-pyridinyl)amino]methyl}phenol
CID 572802
2-Methoxy-6-[(pyridin-2-ylamino)methyl]phenol
CID 853803
2-[(E)-{[4-(pyridin-2-yl)piperazin-1-yl]imino}methyl]phenol
CID 135519103
1-[[(4-Methylpyridin-2-yl)amino]methyl]naphthalen-2-ol
CID 890718
4-Methyl-2-{[(pyridin-2-yl)amino]methyl}phenol
CID 649046
Alpha-(4-methyl-2-pyridylimino)-O-cresol
CID 317647
2-Methoxy-6-(((4-methylpyridin-2-yl)amino)methyl)phenol
CID 853804
4-Methyl-2-[(4-methyl-pyridin-2-ylamino)-methyl]-phenol
CID 890374
n-[(3,5-Dimethylphenoxy)(methyl)phosphoryl]pyridin-2-amine
CID 752273
3-[(Pyridin-2-ylhydrazinylidene)methyl]phenol
CID 263872
1-(5-Bromo-2-pyridyl)-3-[2-(4-hydroxyphenyl)ethyl]thiourea
CID 3002300
4-(((4-(2-Pyridinyl)-1-piperazinyl)imino)methyl)phenol
CID 135548528

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]phenol?
The IUPAC name of 3-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]phenol (CID 51102171) is 3-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]phenol.
What is the SMILES notation for 3-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]phenol?
The canonical SMILES for 3-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]phenol is CN(C)c1ncccc1CNCc1cccc(O)c1.
What is the InChIKey of 3-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]phenol?
The InChIKey is WROLZXOYEKGAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(2)15-13(6-4-8-17-15)11-16-10-12-5-3-7-14(19)9-12/h3-9,16,19H,10-11H2,1-2H3.
What are the key properties of 3-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]phenol?
3-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]phenol has a molecular weight of 257.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]phenol is sourced from PubChem (CID 51102171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).