1-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methoxy]methanamine

C15H18N2O — CID 142040276

IUPAC1-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methoxy]methanamine
SMILESCc1cccc(CNOCc2ncccc2C)c1
InChIInChI=1S/C15H18N2O/c1-12-5-3-7-14(9-12)10-17-18-11-15-13(2)6-4-8-16-15/h3-9,17H,10-11H2,1-2H3
InChIKeyHFHZXLLHLXZMHU-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.92
Rot. Bonds5

About 1-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methoxy]methanamine

1-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methoxy]methanamine (PubChem CID 142040276) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methoxy]methanamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methoxy]methanamine
PubChem CID142040276
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methoxy]methanamine
SMILESCc1cccc(CNOCc2ncccc2C)c1
InChIInChI=1S/C15H18N2O/c1-12-5-3-7-14(9-12)10-17-18-11-15-13(2)6-4-8-16-15/h3-9,17H,10-11H2,1-2H3
InChIKeyHFHZXLLHLXZMHU-UHFFFAOYSA-N
XLogP2.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one
CID 66448415
2-ethoxy-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 43706224
2-chloro-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 43689842
1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
CID 15640186
2-[2-(3-methylphenyl)ethyl]pyridin-3-amine
CID 112716961
3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650029
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305688
3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 63305425
2-methyl-N-[[3-[(3-methyl-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 115982471
N-[2-[(3-methyl-2-pyridinyl)methoxy]ethyl]propan-2-amine
CID 112650766
1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112649868

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methoxy]methanamine?
The IUPAC name of 1-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methoxy]methanamine (CID 142040276) is 1-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methoxy]methanamine.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methoxy]methanamine?
The canonical SMILES for 1-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methoxy]methanamine is Cc1cccc(CNOCc2ncccc2C)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methoxy]methanamine?
The InChIKey is HFHZXLLHLXZMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12-5-3-7-14(9-12)10-17-18-11-15-13(2)6-4-8-16-15/h3-9,17H,10-11H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methoxy]methanamine?
1-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methoxy]methanamine has a molecular weight of 242.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methoxy]methanamine is sourced from PubChem (CID 142040276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).