dimethyl-[2-[(3-methylphenyl)-phenylmethoxy]ethyl]azanium chloride

C18H24ClNO — CID 28655

IUPACdimethyl-[2-[(3-methylphenyl)-phenylmethoxy]ethyl]azanium chloride
SMILESCc1cccc(C(OCC[NH+](C)C)c2ccccc2)c1.[Cl-]
InChIInChI=1S/C18H23NO.ClH/c1-15-8-7-11-17(14-15)18(20-13-12-19(2)3)16-9-5-4-6-10-16;/h4-11,14,18H,12-13H2,1-3H3;1H
InChIKeyJYZPVFDNYWNWHP-UHFFFAOYSA-N
MW305.85 g/mol
LogP-0.75
Rot. Bonds6

About dimethyl-[2-[(3-methylphenyl)-phenylmethoxy]ethyl]azanium chloride

dimethyl-[2-[(3-methylphenyl)-phenylmethoxy]ethyl]azanium chloride (PubChem CID 28655) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is dimethyl-[2-[(3-methylphenyl)-phenylmethoxy]ethyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[2-[(3-methylphenyl)-phenylmethoxy]ethyl]azanium chloride
PubChem CID28655
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Namedimethyl-[2-[(3-methylphenyl)-phenylmethoxy]ethyl]azanium chloride
SMILESCc1cccc(C(OCC[NH+](C)C)c2ccccc2)c1.[Cl-]
InChIInChI=1S/C18H23NO.ClH/c1-15-8-7-11-17(14-15)18(20-13-12-19(2)3)16-9-5-4-6-10-16;/h4-11,14,18H,12-13H2,1-3H3;1H
InChIKeyJYZPVFDNYWNWHP-UHFFFAOYSA-N
XLogP-0.75
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[(3-methylphenyl)-phenylmethoxy]ethyl]azanium chloride?
The IUPAC name of dimethyl-[2-[(3-methylphenyl)-phenylmethoxy]ethyl]azanium chloride (CID 28655) is dimethyl-[2-[(3-methylphenyl)-phenylmethoxy]ethyl]azanium chloride.
What is the SMILES notation for dimethyl-[2-[(3-methylphenyl)-phenylmethoxy]ethyl]azanium chloride?
The canonical SMILES for dimethyl-[2-[(3-methylphenyl)-phenylmethoxy]ethyl]azanium chloride is Cc1cccc(C(OCC[NH+](C)C)c2ccccc2)c1.[Cl-].
What is the InChIKey of dimethyl-[2-[(3-methylphenyl)-phenylmethoxy]ethyl]azanium chloride?
The InChIKey is JYZPVFDNYWNWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c1-15-8-7-11-17(14-15)18(20-13-12-19(2)3)16-9-5-4-6-10-16;/h4-11,14,18H,12-13H2,1-3H3;1H.
What are the key properties of dimethyl-[2-[(3-methylphenyl)-phenylmethoxy]ethyl]azanium chloride?
dimethyl-[2-[(3-methylphenyl)-phenylmethoxy]ethyl]azanium chloride has a molecular weight of 305.85 g/mol, XLogP of -0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[(3-methylphenyl)-phenylmethoxy]ethyl]azanium chloride is sourced from PubChem (CID 28655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).