2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]ethyl-dimethylazanium

C19H26NO+ — CID 7745828

IUPAC2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]ethyl-dimethylazanium
SMILESCc1ccc([C@@H](OCC[NH+](C)C)c2ccccc2)cc1C
InChIInChI=1S/C19H25NO/c1-15-10-11-18(14-16(15)2)19(21-13-12-20(3)4)17-8-6-5-7-9-17/h5-11,14,19H,12-13H2,1-4H3/p+1/t19-/m0/s1
InChIKeyFYMARQDOVPCXLS-IBGZPJMESA-O
MW284.42 g/mol
LogP2.55
Rot. Bonds6

About 2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]ethyl-dimethylazanium

2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]ethyl-dimethylazanium (PubChem CID 7745828) has the molecular formula C19H26NO+ and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]ethyl-dimethylazanium
PubChem CID7745828
Molecular FormulaC19H26NO+
Molecular Weight284.42 g/mol
Exact Mass284.20
IUPAC Name2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]ethyl-dimethylazanium
SMILESCc1ccc([C@@H](OCC[NH+](C)C)c2ccccc2)cc1C
InChIInChI=1S/C19H25NO/c1-15-10-11-18(14-16(15)2)19(21-13-12-20(3)4)17-8-6-5-7-9-17/h5-11,14,19H,12-13H2,1-4H3/p+1/t19-/m0/s1
InChIKeyFYMARQDOVPCXLS-IBGZPJMESA-O
XLogP2.55
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 1224093
1-methyl-4-[phenyl(propoxy)methyl]benzene
CID 54382280
1-bromo-4-[2-chloroethoxy(phenyl)methyl]benzene
CID 131667562
3-(2-benzhydryloxyethylamino)-1-(3,4-dimethylphenyl)propan-1-one
CID 110177605
trimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium
CID 786818
4-[cyclopropylmethoxy(phenyl)methyl]-1-fluoro-2-methylbenzene
CID 123624962
2-benzhydryloxyethyl(trimethyl)azanium
CID 26536
4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene
CID 50888148
N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide
CID 20838241
3-benzhydryloxy-N-propan-2-ylpropan-1-amine
CID 163865412
3-(3,4-dimethylphenyl)-3-phenylpropanoic acid
CID 166063960
2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium
CID 3553500

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]ethyl-dimethylazanium?
The IUPAC name of 2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]ethyl-dimethylazanium (CID 7745828) is 2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]ethyl-dimethylazanium.
What is the SMILES notation for 2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]ethyl-dimethylazanium?
The canonical SMILES for 2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]ethyl-dimethylazanium is Cc1ccc([C@@H](OCC[NH+](C)C)c2ccccc2)cc1C.
What is the InChIKey of 2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]ethyl-dimethylazanium?
The InChIKey is FYMARQDOVPCXLS-IBGZPJMESA-O. The full InChI is InChI=1S/C19H25NO/c1-15-10-11-18(14-16(15)2)19(21-13-12-20(3)4)17-8-6-5-7-9-17/h5-11,14,19H,12-13H2,1-4H3/p+1/t19-/m0/s1.
What are the key properties of 2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]ethyl-dimethylazanium?
2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]ethyl-dimethylazanium has a molecular weight of 284.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]ethyl-dimethylazanium is sourced from PubChem (CID 7745828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).