2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine

C16H21N3O — CID 62288410

IUPAC2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine
SMILESCc1ccc(Oc2ccc(CNCC(C)C)cn2)cn1
InChIInChI=1S/C16H21N3O/c1-12(2)8-17-9-14-5-7-16(19-10-14)20-15-6-4-13(3)18-11-15/h4-7,10-12,17H,8-9H2,1-3H3
InChIKeyIPZDKASMLABUQB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.32
Rot. Bonds6

About 2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62288410) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine
PubChem CID62288410
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine
SMILESCc1ccc(Oc2ccc(CNCC(C)C)cn2)cn1
InChIInChI=1S/C16H21N3O/c1-12(2)8-17-9-14-5-7-16(19-10-14)20-15-6-4-13(3)18-11-15/h4-7,10-12,17H,8-9H2,1-3H3
InChIKeyIPZDKASMLABUQB-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296432
N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62322080
2-[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]ethanamine
CID 80640346
N-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323244
N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63216591
2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine
CID 83185861
N-[[6-(2,4-dibromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64721563
N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 63072151
N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295710
N-[(6-but-3-enoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62287716
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 116689574
N-[[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323080

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine (CID 62288410) is 2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine is Cc1ccc(Oc2ccc(CNCC(C)C)cn2)cn1.
What is the InChIKey of 2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is IPZDKASMLABUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)8-17-9-14-5-7-16(19-10-14)20-15-6-4-13(3)18-11-15/h4-7,10-12,17H,8-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62288410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).