4-[[2-(dimethylamino)ethyl-pyridin-2-ylamino]methyl]phenol

C16H21N3O — CID 14076877

IUPAC4-[[2-(dimethylamino)ethyl-pyridin-2-ylamino]methyl]phenol
SMILESCN(C)CCN(Cc1ccc(O)cc1)c1ccccn1
InChIInChI=1S/C16H21N3O/c1-18(2)11-12-19(16-5-3-4-10-17-16)13-14-6-8-15(20)9-7-14/h3-10,20H,11-13H2,1-2H3
InChIKeyFCFBHFOEKQWQBR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.36
Rot. Bonds6

About 4-[[2-(dimethylamino)ethyl-pyridin-2-ylamino]methyl]phenol

4-[[2-(dimethylamino)ethyl-pyridin-2-ylamino]methyl]phenol (PubChem CID 14076877) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)ethyl-pyridin-2-ylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(dimethylamino)ethyl-pyridin-2-ylamino]methyl]phenol
PubChem CID14076877
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[[2-(dimethylamino)ethyl-pyridin-2-ylamino]methyl]phenol
SMILESCN(C)CCN(Cc1ccc(O)cc1)c1ccccn1
InChIInChI=1S/C16H21N3O/c1-18(2)11-12-19(16-5-3-4-10-17-16)13-14-6-8-15(20)9-7-14/h3-10,20H,11-13H2,1-2H3
InChIKeyFCFBHFOEKQWQBR-UHFFFAOYSA-N
XLogP2.36
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)ethyl-pyridin-2-ylamino]methyl]phenol?
The IUPAC name of 4-[[2-(dimethylamino)ethyl-pyridin-2-ylamino]methyl]phenol (CID 14076877) is 4-[[2-(dimethylamino)ethyl-pyridin-2-ylamino]methyl]phenol.
What is the SMILES notation for 4-[[2-(dimethylamino)ethyl-pyridin-2-ylamino]methyl]phenol?
The canonical SMILES for 4-[[2-(dimethylamino)ethyl-pyridin-2-ylamino]methyl]phenol is CN(C)CCN(Cc1ccc(O)cc1)c1ccccn1.
What is the InChIKey of 4-[[2-(dimethylamino)ethyl-pyridin-2-ylamino]methyl]phenol?
The InChIKey is FCFBHFOEKQWQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18(2)11-12-19(16-5-3-4-10-17-16)13-14-6-8-15(20)9-7-14/h3-10,20H,11-13H2,1-2H3.
What are the key properties of 4-[[2-(dimethylamino)ethyl-pyridin-2-ylamino]methyl]phenol?
4-[[2-(dimethylamino)ethyl-pyridin-2-ylamino]methyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)ethyl-pyridin-2-ylamino]methyl]phenol is sourced from PubChem (CID 14076877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).