[3-[[(5-amino-2-pyridinyl)amino]methyl]phenyl]methanol

C13H15N3O — CID 107231693

IUPAC[3-[[(5-amino-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESNc1ccc(NCc2cccc(CO)c2)nc1
InChIInChI=1S/C13H15N3O/c14-12-4-5-13(16-8-12)15-7-10-2-1-3-11(6-10)9-17/h1-6,8,17H,7,9,14H2,(H,15,16)
InChIKeyMNQCQRRXLQCKAV-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.77
Rot. Bonds4

About [3-[[(5-amino-2-pyridinyl)amino]methyl]phenyl]methanol

[3-[[(5-amino-2-pyridinyl)amino]methyl]phenyl]methanol (PubChem CID 107231693) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [3-[[(5-amino-2-pyridinyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(5-amino-2-pyridinyl)amino]methyl]phenyl]methanol
PubChem CID107231693
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[3-[[(5-amino-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESNc1ccc(NCc2cccc(CO)c2)nc1
InChIInChI=1S/C13H15N3O/c14-12-4-5-13(16-8-12)15-7-10-2-1-3-11(6-10)9-17/h1-6,8,17H,7,9,14H2,(H,15,16)
InChIKeyMNQCQRRXLQCKAV-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

2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine
CID 62538240
[3-[[(6-amino-3-pyridinyl)amino]methyl]phenyl]methanol
CID 107231807
[3-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 114476788
2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine
CID 62539567
3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 107231916
[3-[[(6-fluoropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197098
6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile
CID 55084059
[3-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231800
2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 62989531
[3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol
CID 107231766
[3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231936
[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 65419281

Frequently Asked Questions

What is the IUPAC name of [3-[[(5-amino-2-pyridinyl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(5-amino-2-pyridinyl)amino]methyl]phenyl]methanol (CID 107231693) is [3-[[(5-amino-2-pyridinyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(5-amino-2-pyridinyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(5-amino-2-pyridinyl)amino]methyl]phenyl]methanol is Nc1ccc(NCc2cccc(CO)c2)nc1.
What is the InChIKey of [3-[[(5-amino-2-pyridinyl)amino]methyl]phenyl]methanol?
The InChIKey is MNQCQRRXLQCKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-12-4-5-13(16-8-12)15-7-10-2-1-3-11(6-10)9-17/h1-6,8,17H,7,9,14H2,(H,15,16).
What are the key properties of [3-[[(5-amino-2-pyridinyl)amino]methyl]phenyl]methanol?
[3-[[(5-amino-2-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-[[(5-amino-2-pyridinyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107231693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).