[3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol

C13H15N3O — CID 107231807

IUPAC[3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol
SMILESNc1ccc(NCc2cccc(CO)c2)cn1
InChIInChI=1S/C13H15N3O/c14-13-5-4-12(8-16-13)15-7-10-2-1-3-11(6-10)9-17/h1-6,8,15,17H,7,9H2,(H2,14,16)
InChIKeyOONBWULPPHPFLV-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.77
Rot. Bonds4

About [3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol

[3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol (PubChem CID 107231807) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol
PubChem CID107231807
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol
SMILESNc1ccc(NCc2cccc(CO)c2)cn1
InChIInChI=1S/C13H15N3O/c14-13-5-4-12(8-16-13)15-7-10-2-1-3-11(6-10)9-17/h1-6,8,15,17H,7,9H2,(H2,14,16)
InChIKeyOONBWULPPHPFLV-UHFFFAOYSA-N
XLogP1.77
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[(5-amino-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231693
5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine
CID 54965666
[3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol
CID 107231766
[3-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231800
[3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol
CID 107231702
[3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231936
[3-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 114476788
5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine
CID 62314086
[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 65419281
3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile
CID 107232132
[3-[(2-amino-3-chloroanilino)methyl]phenyl]methanol
CID 107231829
[3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 79718432

Frequently Asked Questions

What is the IUPAC name of [3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol (CID 107231807) is [3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol is Nc1ccc(NCc2cccc(CO)c2)cn1.
What is the InChIKey of [3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol?
The InChIKey is OONBWULPPHPFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-13-5-4-12(8-16-13)15-7-10-2-1-3-11(6-10)9-17/h1-6,8,15,17H,7,9H2,(H2,14,16).
What are the key properties of [3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol?
[3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol has a molecular weight of 229.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107231807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).