dimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium chloride

C18H24ClNO — CID 19934

IUPACdimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium chloride
SMILESCc1ccc(C(OCC[NH+](C)C)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C18H23NO.ClH/c1-15-9-11-17(12-10-15)18(20-14-13-19(2)3)16-7-5-4-6-8-16;/h4-12,18H,13-14H2,1-3H3;1H
InChIKeyBNFDLGUZDIWYJK-UHFFFAOYSA-N
MW305.85 g/mol
LogP-0.75
Rot. Bonds6

About dimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium chloride

dimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium chloride (PubChem CID 19934) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is dimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium chloride
PubChem CID19934
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Namedimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium chloride
SMILESCc1ccc(C(OCC[NH+](C)C)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C18H23NO.ClH/c1-15-9-11-17(12-10-15)18(20-14-13-19(2)3)16-7-5-4-6-8-16;/h4-12,18H,13-14H2,1-3H3;1H
InChIKeyBNFDLGUZDIWYJK-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-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium chloride?
The IUPAC name of dimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium chloride (CID 19934) is dimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium chloride.
What is the SMILES notation for dimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium chloride?
The canonical SMILES for dimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium chloride is Cc1ccc(C(OCC[NH+](C)C)c2ccccc2)cc1.[Cl-].
What is the InChIKey of dimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium chloride?
The InChIKey is BNFDLGUZDIWYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c1-15-9-11-17(12-10-15)18(20-14-13-19(2)3)16-7-5-4-6-8-16;/h4-12,18H,13-14H2,1-3H3;1H.
What are the key properties of dimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium chloride?
dimethyl-[2-[(4-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-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium chloride is sourced from PubChem (CID 19934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).