(2-methylphenyl)methoxy-di(propan-2-yl)azanium

C14H24NO+ — CID 173224071

IUPAC(2-methylphenyl)methoxy-di(propan-2-yl)azanium
SMILESCc1ccccc1CO[NH+](C(C)C)C(C)C
InChIInChI=1S/C14H23NO/c1-11(2)15(12(3)4)16-10-14-9-7-6-8-13(14)5/h6-9,11-12H,10H2,1-5H3/p+1
InChIKeyCKGJJMBSYLALHV-UHFFFAOYSA-O
MW222.35 g/mol
LogP2.13
Rot. Bonds5

About (2-methylphenyl)methoxy-di(propan-2-yl)azanium

(2-methylphenyl)methoxy-di(propan-2-yl)azanium (PubChem CID 173224071) has the molecular formula C14H24NO+ and a molecular weight of 222.35 g/mol. Its IUPAC name is (2-methylphenyl)methoxy-di(propan-2-yl)azanium.

Molecular Properties

Compound Name(2-methylphenyl)methoxy-di(propan-2-yl)azanium
PubChem CID173224071
Molecular FormulaC14H24NO+
Molecular Weight222.35 g/mol
Exact Mass222.19
IUPAC Name(2-methylphenyl)methoxy-di(propan-2-yl)azanium
SMILESCc1ccccc1CO[NH+](C(C)C)C(C)C
InChIInChI=1S/C14H23NO/c1-11(2)15(12(3)4)16-10-14-9-7-6-8-13(14)5/h6-9,11-12H,10H2,1-5H3/p+1
InChIKeyCKGJJMBSYLALHV-UHFFFAOYSA-O
XLogP2.13
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(ethoxymethyl)-2-methylbenzene
CID 143583110
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
N-[(2-methylphenyl)methoxy]methanimine
CID 54167357
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 78931579
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 30079943
(2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine
CID 112500895
CID 88723030
CID 88723030
ethane;1-methyl-2-(propoxymethyl)benzene
CID 144908346
(2-methylphenyl)methyl 2-amino-4-methylpentanoate
CID 112510029
(2-methylphenyl)methyl 2,2,2-trifluoroacetate
CID 2753147
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene
CID 58414082

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methoxy-di(propan-2-yl)azanium?
The IUPAC name of (2-methylphenyl)methoxy-di(propan-2-yl)azanium (CID 173224071) is (2-methylphenyl)methoxy-di(propan-2-yl)azanium.
What is the SMILES notation for (2-methylphenyl)methoxy-di(propan-2-yl)azanium?
The canonical SMILES for (2-methylphenyl)methoxy-di(propan-2-yl)azanium is Cc1ccccc1CO[NH+](C(C)C)C(C)C.
What is the InChIKey of (2-methylphenyl)methoxy-di(propan-2-yl)azanium?
The InChIKey is CKGJJMBSYLALHV-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23NO/c1-11(2)15(12(3)4)16-10-14-9-7-6-8-13(14)5/h6-9,11-12H,10H2,1-5H3/p+1.
What are the key properties of (2-methylphenyl)methoxy-di(propan-2-yl)azanium?
(2-methylphenyl)methoxy-di(propan-2-yl)azanium has a molecular weight of 222.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methoxy-di(propan-2-yl)azanium is sourced from PubChem (CID 173224071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).