4-[[[5-[(dimethylamino)methyl]-3-pyridinyl]amino]methyl]phenol

C15H19N3O — CID 123992398

IUPAC4-[[[5-[(dimethylamino)methyl]-3-pyridinyl]amino]methyl]phenol
SMILESCN(C)Cc1cncc(NCc2ccc(O)cc2)c1
InChIInChI=1S/C15H19N3O/c1-18(2)11-13-7-14(10-16-8-13)17-9-12-3-5-15(19)6-4-12/h3-8,10,17,19H,9,11H2,1-2H3
InChIKeyBWHHZZFJZUYNPV-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.46
Rot. Bonds5

About 4-[[[5-[(dimethylamino)methyl]-3-pyridinyl]amino]methyl]phenol

4-[[[5-[(dimethylamino)methyl]-3-pyridinyl]amino]methyl]phenol (PubChem CID 123992398) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[[[5-[(dimethylamino)methyl]-3-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[5-[(dimethylamino)methyl]-3-pyridinyl]amino]methyl]phenol
PubChem CID123992398
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[[[5-[(dimethylamino)methyl]-3-pyridinyl]amino]methyl]phenol
SMILESCN(C)Cc1cncc(NCc2ccc(O)cc2)c1
InChIInChI=1S/C15H19N3O/c1-18(2)11-13-7-14(10-16-8-13)17-9-12-3-5-15(19)6-4-12/h3-8,10,17,19H,9,11H2,1-2H3
InChIKeyBWHHZZFJZUYNPV-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[5-[(dimethylamino)methyl]-3-pyridinyl]amino]methyl]phenol?
The IUPAC name of 4-[[[5-[(dimethylamino)methyl]-3-pyridinyl]amino]methyl]phenol (CID 123992398) is 4-[[[5-[(dimethylamino)methyl]-3-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[5-[(dimethylamino)methyl]-3-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 4-[[[5-[(dimethylamino)methyl]-3-pyridinyl]amino]methyl]phenol is CN(C)Cc1cncc(NCc2ccc(O)cc2)c1.
What is the InChIKey of 4-[[[5-[(dimethylamino)methyl]-3-pyridinyl]amino]methyl]phenol?
The InChIKey is BWHHZZFJZUYNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(2)11-13-7-14(10-16-8-13)17-9-12-3-5-15(19)6-4-12/h3-8,10,17,19H,9,11H2,1-2H3.
What are the key properties of 4-[[[5-[(dimethylamino)methyl]-3-pyridinyl]amino]methyl]phenol?
4-[[[5-[(dimethylamino)methyl]-3-pyridinyl]amino]methyl]phenol has a molecular weight of 257.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-[(dimethylamino)methyl]-3-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 123992398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).