2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine

C16H21N3O — CID 105074816

IUPAC2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
SMILESCc1ccc(Oc2cnccc2CNC(C)(C)C)cn1
InChIInChI=1S/C16H21N3O/c1-12-5-6-14(10-18-12)20-15-11-17-8-7-13(15)9-19-16(2,3)4/h5-8,10-11,19H,9H2,1-4H3
InChIKeyXKPYXSSYEUNIDR-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.47
Rot. Bonds4

About 2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine (PubChem CID 105074816) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
PubChem CID105074816
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
SMILESCc1ccc(Oc2cnccc2CNC(C)(C)C)cn1
InChIInChI=1S/C16H21N3O/c1-12-5-6-14(10-18-12)20-15-11-17-8-7-13(15)9-19-16(2,3)4/h5-8,10-11,19H,9H2,1-4H3
InChIKeyXKPYXSSYEUNIDR-UHFFFAOYSA-N
XLogP3.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

2-methyl-N-[[3-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075661
N-[[4-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114856965
2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-2-amine
CID 62287354
2-methyl-N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075329
N-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105075842
N-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 81152126
3-bromo-4-[(6-methyl-3-pyridinyl)oxy]pyridine
CID 104778902
3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile
CID 114287943
1-[3-(4-ethoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075216
2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075003
N-[[3-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105075746
2-methyl-N-[[4-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]propan-2-amine
CID 62440308

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine (CID 105074816) is 2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine is Cc1ccc(Oc2cnccc2CNC(C)(C)C)cn1.
What is the InChIKey of 2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is XKPYXSSYEUNIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-5-6-14(10-18-12)20-15-11-17-8-7-13(15)9-19-16(2,3)4/h5-8,10-11,19H,9H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 105074816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).