2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol

C16H20N2O3 — CID 61375585

IUPAC2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol
SMILESCOc1cccc(CNc2cccnc2OC(C)C)c1O
InChIInChI=1S/C16H20N2O3/c1-11(2)21-16-13(7-5-9-17-16)18-10-12-6-4-8-14(20-3)15(12)19/h4-9,11,18-19H,10H2,1-3H3
InChIKeyCMMUDECMKAOASW-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.20
Rot. Bonds6

About 2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol

2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol (PubChem CID 61375585) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol
PubChem CID61375585
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol
SMILESCOc1cccc(CNc2cccnc2OC(C)C)c1O
InChIInChI=1S/C16H20N2O3/c1-11(2)21-16-13(7-5-9-17-16)18-10-12-6-4-8-14(20-3)15(12)19/h4-9,11,18-19H,10H2,1-3H3
InChIKeyCMMUDECMKAOASW-UHFFFAOYSA-N
XLogP3.20
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid
CID 103243931
N-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 102615560
N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61373876
N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 63454228
N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 106862466
3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid
CID 103243918
2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methoxyphenol
CID 29271826
2-bromo-4-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol
CID 63047282
2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol
CID 79359765
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375572
2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 61373861

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol (CID 61375585) is 2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol is COc1cccc(CNc2cccnc2OC(C)C)c1O.
What is the InChIKey of 2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol?
The InChIKey is CMMUDECMKAOASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(2)21-16-13(7-5-9-17-16)18-10-12-6-4-8-14(20-3)15(12)19/h4-9,11,18-19H,10H2,1-3H3.
What are the key properties of 2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol?
2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol has a molecular weight of 288.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 61375585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).