2-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]ethanol

C20H21N3O — CID 11551485

IUPAC2-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]ethanol
SMILESNc1ncccc1NCc1cccc(-c2cccc(CCO)c2)c1
InChIInChI=1S/C20H21N3O/c21-20-19(8-3-10-22-20)23-14-16-5-2-7-18(13-16)17-6-1-4-15(12-17)9-11-24/h1-8,10,12-13,23-24H,9,11,14H2,(H2,21,22)
InChIKeyJTAQDVSZFRUBLX-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.48
Rot. Bonds6

About 2-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]ethanol

2-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]ethanol (PubChem CID 11551485) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]ethanol
PubChem CID11551485
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]ethanol
SMILESNc1ncccc1NCc1cccc(-c2cccc(CCO)c2)c1
InChIInChI=1S/C20H21N3O/c21-20-19(8-3-10-22-20)23-14-16-5-2-7-18(13-16)17-6-1-4-15(12-17)9-11-24/h1-8,10,12-13,23-24H,9,11,14H2,(H2,21,22)
InChIKeyJTAQDVSZFRUBLX-UHFFFAOYSA-N
XLogP3.48
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]ethanol?
The IUPAC name of 2-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]ethanol (CID 11551485) is 2-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]ethanol.
What is the SMILES notation for 2-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]ethanol?
The canonical SMILES for 2-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]ethanol is Nc1ncccc1NCc1cccc(-c2cccc(CCO)c2)c1.
What is the InChIKey of 2-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]ethanol?
The InChIKey is JTAQDVSZFRUBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c21-20-19(8-3-10-22-20)23-14-16-5-2-7-18(13-16)17-6-1-4-15(12-17)9-11-24/h1-8,10,12-13,23-24H,9,11,14H2,(H2,21,22).
What are the key properties of 2-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]ethanol?
2-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]ethanol has a molecular weight of 319.41 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]phenyl]ethanol is sourced from PubChem (CID 11551485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).