benzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol

C18H19N3O — CID 175372198

IUPACbenzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol
SMILESNc1ccccc1N.Oc1ccccc1Cc1ccccn1
InChIInChI=1S/C12H11NO.C6H8N2/c14-12-7-2-1-5-10(12)9-11-6-3-4-8-13-11;7-5-3-1-2-4-6(5)8/h1-8,14H,9H2;1-4H,7-8H2
InChIKeyKWMXSZOYJJBILU-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.23
Rot. Bonds2

About benzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol

benzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol (PubChem CID 175372198) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is benzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol.

Molecular Properties

Compound Namebenzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol
PubChem CID175372198
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Namebenzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol
SMILESNc1ccccc1N.Oc1ccccc1Cc1ccccn1
InChIInChI=1S/C12H11NO.C6H8N2/c14-12-7-2-1-5-10(12)9-11-6-3-4-8-13-11;7-5-3-1-2-4-6(5)8/h1-8,14H,9H2;1-4H,7-8H2
InChIKeyKWMXSZOYJJBILU-UHFFFAOYSA-N
XLogP3.23
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-amino-2-pyridinyl)methyl]phenol
CID 54024998
5-fluoro-2-(pyridin-2-ylmethyl)phenol
CID 83129937
2-(pyrazin-2-ylmethyl)phenol
CID 67682794
4-chloro-2-(pyridin-2-ylmethyl)aniline
CID 14005180
2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline
CID 69057347
2-amino-N-oxo-3-(pyridin-2-ylmethyl)benzamide
CID 174567359
3-amino-2-methyl-4-(2-pyridin-2-ylethyl)phenol
CID 174442425
pyridin-2-ylmethyl 2-(2-aminophenyl)acetate
CID 61320697
3-fluoro-4-(pyridin-2-ylmethyl)aniline
CID 54086416
1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone
CID 116613912
[4-(aminomethyl)-2,3-bis(pyridin-2-ylmethyl)phenyl]methanamine
CID 68592017
2-[[bis(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 15244964

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol?
The IUPAC name of benzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol (CID 175372198) is benzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol.
What is the SMILES notation for benzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol?
The canonical SMILES for benzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol is Nc1ccccc1N.Oc1ccccc1Cc1ccccn1.
What is the InChIKey of benzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol?
The InChIKey is KWMXSZOYJJBILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO.C6H8N2/c14-12-7-2-1-5-10(12)9-11-6-3-4-8-13-11;7-5-3-1-2-4-6(5)8/h1-8,14H,9H2;1-4H,7-8H2.
What are the key properties of benzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol?
benzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol has a molecular weight of 293.37 g/mol, XLogP of 3.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol is sourced from PubChem (CID 175372198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).