N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine

C18H24N2O — CID 106907961

IUPACN-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
SMILESCc1cccc(OCc2cccc(CNC(C)C)n2)c1C
InChIInChI=1S/C18H24N2O/c1-13(2)19-11-16-8-6-9-17(20-16)12-21-18-10-5-7-14(3)15(18)4/h5-10,13,19H,11-12H2,1-4H3
InChIKeyMYBSFCBBBGKFDT-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.78
Rot. Bonds6

About N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine

N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine (PubChem CID 106907961) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
PubChem CID106907961
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
SMILESCc1cccc(OCc2cccc(CNC(C)C)n2)c1C
InChIInChI=1S/C18H24N2O/c1-13(2)19-11-16-8-6-9-17(20-16)12-21-18-10-5-7-14(3)15(18)4/h5-10,13,19H,11-12H2,1-4H3
InChIKeyMYBSFCBBBGKFDT-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907945
N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907958
N-[[6-[(2,3-difluorophenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106908318
N-[[6-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907860
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
2-[(2,3-dimethylphenoxy)methyl]-6-methoxypyridine
CID 103432339
N-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 62296582
N-[[6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79262670
N-[[6-[(2-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 107661247
N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine
CID 106908394
N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine
CID 43282794
N-methyl-1-[6-[(2-methyl-5-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908248

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine (CID 106907961) is N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine is Cc1cccc(OCc2cccc(CNC(C)C)n2)c1C.
What is the InChIKey of N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is MYBSFCBBBGKFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(2)19-11-16-8-6-9-17(20-16)12-21-18-10-5-7-14(3)15(18)4/h5-10,13,19H,11-12H2,1-4H3.
What are the key properties of N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine?
N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 284.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 106907961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).