3-amino-2-methyl-4-(2-pyridin-2-ylethyl)phenol

C14H16N2O — CID 174442425

IUPAC3-amino-2-methyl-4-(2-pyridin-2-ylethyl)phenol
SMILESCc1c(O)ccc(CCc2ccccn2)c1N
InChIInChI=1S/C14H16N2O/c1-10-13(17)8-6-11(14(10)15)5-7-12-4-2-3-9-16-12/h2-4,6,8-9,17H,5,7,15H2,1H3
InChIKeyYEYBUVSQBKWSDU-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.46
Rot. Bonds3

About 3-amino-2-methyl-4-(2-pyridin-2-ylethyl)phenol

3-amino-2-methyl-4-(2-pyridin-2-ylethyl)phenol (PubChem CID 174442425) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-amino-2-methyl-4-(2-pyridin-2-ylethyl)phenol.

Molecular Properties

Compound Name3-amino-2-methyl-4-(2-pyridin-2-ylethyl)phenol
PubChem CID174442425
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-amino-2-methyl-4-(2-pyridin-2-ylethyl)phenol
SMILESCc1c(O)ccc(CCc2ccccn2)c1N
InChIInChI=1S/C14H16N2O/c1-10-13(17)8-6-11(14(10)15)5-7-12-4-2-3-9-16-12/h2-4,6,8-9,17H,5,7,15H2,1H3
InChIKeyYEYBUVSQBKWSDU-UHFFFAOYSA-N
XLogP2.46
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol
CID 175372198
methyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate
CID 46735346
2-methyl-6-(2-pyridin-2-ylethoxy)aniline
CID 60892801
3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine
CID 162747198
2-[[bis(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 15244964
2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride
CID 45075115
6-hydroxy-7-methyl-2-(pyridin-2-ylmethyl)-3H-isoindol-1-one
CID 71032349
ethane;pyridin-2-ylmethanamine
CID 90791011
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
5-methyl-2-(2-pyridin-2-ylethoxy)aniline
CID 22046369
ethane;methyl(pyridin-2-ylmethyl)azanium
CID 91331708
2-[2-(2-pyrrolidin-1-ylphenyl)ethyl]pyridine
CID 168512294

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-4-(2-pyridin-2-ylethyl)phenol?
The IUPAC name of 3-amino-2-methyl-4-(2-pyridin-2-ylethyl)phenol (CID 174442425) is 3-amino-2-methyl-4-(2-pyridin-2-ylethyl)phenol.
What is the SMILES notation for 3-amino-2-methyl-4-(2-pyridin-2-ylethyl)phenol?
The canonical SMILES for 3-amino-2-methyl-4-(2-pyridin-2-ylethyl)phenol is Cc1c(O)ccc(CCc2ccccn2)c1N.
What is the InChIKey of 3-amino-2-methyl-4-(2-pyridin-2-ylethyl)phenol?
The InChIKey is YEYBUVSQBKWSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-13(17)8-6-11(14(10)15)5-7-12-4-2-3-9-16-12/h2-4,6,8-9,17H,5,7,15H2,1H3.
What are the key properties of 3-amino-2-methyl-4-(2-pyridin-2-ylethyl)phenol?
3-amino-2-methyl-4-(2-pyridin-2-ylethyl)phenol has a molecular weight of 228.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-4-(2-pyridin-2-ylethyl)phenol is sourced from PubChem (CID 174442425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).