5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol

C15H18N2O2 — CID 61261961

IUPAC5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol
SMILESCOc1ccc(CNCCc2cccnc2)c(O)c1
InChIInChI=1S/C15H18N2O2/c1-19-14-5-4-13(15(18)9-14)11-17-8-6-12-3-2-7-16-10-12/h2-5,7,9-10,17-18H,6,8,11H2,1H3
InChIKeyDVEAGSKLBIUVEU-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.13
Rot. Bonds6

About 5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol

5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol (PubChem CID 61261961) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol
PubChem CID61261961
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol
SMILESCOc1ccc(CNCCc2cccnc2)c(O)c1
InChIInChI=1S/C15H18N2O2/c1-19-14-5-4-13(15(18)9-14)11-17-8-6-12-3-2-7-16-10-12/h2-5,7,9-10,17-18H,6,8,11H2,1H3
InChIKeyDVEAGSKLBIUVEU-UHFFFAOYSA-N
XLogP2.13
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
4-methoxy-2-[(2-phenylethylamino)methyl]phenol
CID 28615660
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide
CID 75531303
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17292499
4-chloro-2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenol
CID 104646102
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
CID 60761777
5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol
CID 104694486
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol
CID 61263621
5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol
CID 55203662
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylethanamine
CID 63625517
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol?
The IUPAC name of 5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol (CID 61261961) is 5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol?
The canonical SMILES for 5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol is COc1ccc(CNCCc2cccnc2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol?
The InChIKey is DVEAGSKLBIUVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-14-5-4-13(15(18)9-14)11-17-8-6-12-3-2-7-16-10-12/h2-5,7,9-10,17-18H,6,8,11H2,1H3.
What are the key properties of 5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol?
5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol is sourced from PubChem (CID 61261961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).