trimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium

C19H26NO+ — CID 786818

IUPACtrimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium
SMILESCc1ccc([C@@H](OCC[N+](C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H26NO/c1-16-10-12-18(13-11-16)19(17-8-6-5-7-9-17)21-15-14-20(2,3)4/h5-13,19H,14-15H2,1-4H3/q+1/t19-/m0/s1
InChIKeyFERVXSHGEVPGHF-IBGZPJMESA-N
MW284.42 g/mol
LogP3.81
Rot. Bonds6

About trimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium

trimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium (PubChem CID 786818) has the molecular formula C19H26NO+ and a molecular weight of 284.42 g/mol. Its IUPAC name is trimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium
PubChem CID786818
Molecular FormulaC19H26NO+
Molecular Weight284.42 g/mol
Exact Mass284.20
IUPAC Nametrimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium
SMILESCc1ccc([C@@H](OCC[N+](C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H26NO/c1-16-10-12-18(13-11-16)19(17-8-6-5-7-9-17)21-15-14-20(2,3)4/h5-13,19H,14-15H2,1-4H3/q+1/t19-/m0/s1
InChIKeyFERVXSHGEVPGHF-IBGZPJMESA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-benzhydryloxyethyl(trimethyl)azanium
CID 26536
N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide
CID 20838241
2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium
CID 5051949
1-methyl-4-[phenyl(propoxy)methyl]benzene
CID 54382280
3-(4-methylphenyl)-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]propan-1-amine
CID 121338178
N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]cyclohexanamine
CID 23276329
5-[4-[methoxy-(4-methylphenyl)methyl]phenoxy]pentyl-trimethylazanium
CID 59582366
2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane
CID 3549326
(2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane
CID 2507782
1-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine
CID 54531771
3-[2-aminoethoxy-(4-methylphenyl)methyl]benzoic acid
CID 68723668
5-[4-[2-aminopropanoyloxy-(4-methylphenyl)methyl]phenoxy]pentyl-trimethylazanium
CID 59582322

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium?
The IUPAC name of trimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium (CID 786818) is trimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium?
The canonical SMILES for trimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium is Cc1ccc([C@@H](OCC[N+](C)(C)C)c2ccccc2)cc1.
What is the InChIKey of trimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium?
The InChIKey is FERVXSHGEVPGHF-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26NO/c1-16-10-12-18(13-11-16)19(17-8-6-5-7-9-17)21-15-14-20(2,3)4/h5-13,19H,14-15H2,1-4H3/q+1/t19-/m0/s1.
What are the key properties of trimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium?
trimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium has a molecular weight of 284.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium is sourced from PubChem (CID 786818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).