3-[(3-amino-2-pyridinyl)methylamino]phenol

C12H13N3O — CID 105468639

IUPAC3-[(3-amino-2-pyridinyl)methylamino]phenol
SMILESNc1cccnc1CNc1cccc(O)c1
InChIInChI=1S/C12H13N3O/c13-11-5-2-6-14-12(11)8-15-9-3-1-4-10(16)7-9/h1-7,15-16H,8,13H2
InChIKeyQRXOZNFCCVPMTI-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.98
Rot. Bonds3

About 3-[(3-amino-2-pyridinyl)methylamino]phenol

3-[(3-amino-2-pyridinyl)methylamino]phenol (PubChem CID 105468639) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-[(3-amino-2-pyridinyl)methylamino]phenol.

Molecular Properties

Compound Name3-[(3-amino-2-pyridinyl)methylamino]phenol
PubChem CID105468639
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-[(3-amino-2-pyridinyl)methylamino]phenol
SMILESNc1cccnc1CNc1cccc(O)c1
InChIInChI=1S/C12H13N3O/c13-11-5-2-6-14-12(11)8-15-9-3-1-4-10(16)7-9/h1-7,15-16H,8,13H2
InChIKeyQRXOZNFCCVPMTI-UHFFFAOYSA-N
XLogP1.98
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluoroanilino)methyl]pyridin-3-amine
CID 105470902
3-[(2-methyl-3-pyridinyl)methylamino]phenol
CID 99790074
3-(2-pyridin-2-ylethylamino)phenol
CID 15597531
3-[(5-phenyl-2H-triazol-4-yl)methylamino]phenol
CID 63644198
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol
CID 105472420
3-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62355871
2-[(3-hydroxyanilino)methyl]benzene-1,3,5-triol
CID 21321371
3-[(2-methylphenyl)methylamino]phenol
CID 28722272
N-[(3-amino-2-pyridinyl)methyl]-3-chloro-2,2-dimethylpropanamide
CID 165440257
3-[(5-methyl-2-pyridinyl)methylamino]phenol
CID 81311516
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol
CID 64578022

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2-pyridinyl)methylamino]phenol?
The IUPAC name of 3-[(3-amino-2-pyridinyl)methylamino]phenol (CID 105468639) is 3-[(3-amino-2-pyridinyl)methylamino]phenol.
What is the SMILES notation for 3-[(3-amino-2-pyridinyl)methylamino]phenol?
The canonical SMILES for 3-[(3-amino-2-pyridinyl)methylamino]phenol is Nc1cccnc1CNc1cccc(O)c1.
What is the InChIKey of 3-[(3-amino-2-pyridinyl)methylamino]phenol?
The InChIKey is QRXOZNFCCVPMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-11-5-2-6-14-12(11)8-15-9-3-1-4-10(16)7-9/h1-7,15-16H,8,13H2.
What are the key properties of 3-[(3-amino-2-pyridinyl)methylamino]phenol?
3-[(3-amino-2-pyridinyl)methylamino]phenol has a molecular weight of 215.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2-pyridinyl)methylamino]phenol is sourced from PubChem (CID 105468639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).