4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol

C14H17N3O — CID 43690428

IUPAC4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
SMILESCN(C)c1ccc(NCc2ccc(O)cc2)cn1
InChIInChI=1S/C14H17N3O/c1-17(2)14-8-5-12(10-16-14)15-9-11-3-6-13(18)7-4-11/h3-8,10,15,18H,9H2,1-2H3
InChIKeyYBXKBPZMENUCDL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.47
Rot. Bonds4

About 4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol

4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol (PubChem CID 43690428) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
PubChem CID43690428
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
SMILESCN(C)c1ccc(NCc2ccc(O)cc2)cn1
InChIInChI=1S/C14H17N3O/c1-17(2)14-8-5-12(10-16-14)15-9-11-3-6-13(18)7-4-11/h3-8,10,15,18H,9H2,1-2H3
InChIKeyYBXKBPZMENUCDL-UHFFFAOYSA-N
XLogP2.47
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(isoquinolin-6-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 107037893
6-(dimethylamino)pyridin-3-ol
CID 11715188
5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690440
2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol
CID 112553810
5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690444
5-N-(2,2-dimethylpropyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 61325554
2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine
CID 62095305
2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol
CID 43690589
2-N,2-N-dimethyl-5-N-(thiadiazol-4-ylmethyl)pyridine-2,5-diamine
CID 43690649
(2R)-2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(4-hydroxyphenyl)acetic acid
CID 166253792
5-[[4-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethylpyridin-2-amine
CID 47053671
4-[[[5-[(dimethylamino)methyl]-3-pyridinyl]amino]methyl]phenol
CID 123992398

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol?
The IUPAC name of 4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol (CID 43690428) is 4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol is CN(C)c1ccc(NCc2ccc(O)cc2)cn1.
What is the InChIKey of 4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol?
The InChIKey is YBXKBPZMENUCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17(2)14-8-5-12(10-16-14)15-9-11-3-6-13(18)7-4-11/h3-8,10,15,18H,9H2,1-2H3.
What are the key properties of 4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol?
4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol has a molecular weight of 243.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 43690428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).