3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]phenol

C13H15N3O — CID 107733688

IUPAC3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]phenol
SMILESCN(c1cccc(O)c1)c1ccc(CN)cn1
InChIInChI=1S/C13H15N3O/c1-16(11-3-2-4-12(17)7-11)13-6-5-10(8-14)9-15-13/h2-7,9,17H,8,14H2,1H3
InChIKeyONEXUUBEGIWXIB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.01
Rot. Bonds3

About 3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]phenol

3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]phenol (PubChem CID 107733688) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]phenol.

Molecular Properties

Compound Name3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]phenol
PubChem CID107733688
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]phenol
SMILESCN(c1cccc(O)c1)c1ccc(CN)cn1
InChIInChI=1S/C13H15N3O/c1-16(11-3-2-4-12(17)7-11)13-6-5-10(8-14)9-15-13/h2-7,9,17H,8,14H2,1H3
InChIKeyONEXUUBEGIWXIB-UHFFFAOYSA-N
XLogP2.01
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]phenol?
The IUPAC name of 3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]phenol (CID 107733688) is 3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]phenol.
What is the SMILES notation for 3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]phenol?
The canonical SMILES for 3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]phenol is CN(c1cccc(O)c1)c1ccc(CN)cn1.
What is the InChIKey of 3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]phenol?
The InChIKey is ONEXUUBEGIWXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16(11-3-2-4-12(17)7-11)13-6-5-10(8-14)9-15-13/h2-7,9,17H,8,14H2,1H3.
What are the key properties of 3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]phenol?
3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]phenol has a molecular weight of 229.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]phenol is sourced from PubChem (CID 107733688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).