2-(4-methoxy-2-phenylphenyl)ethyl-propan-2-ylazanium chloride

C18H24ClNO — CID 27181

IUPAC2-(4-methoxy-2-phenylphenyl)ethyl-propan-2-ylazanium chloride
SMILESCOc1ccc(CC[NH2+]C(C)C)c(-c2ccccc2)c1.[Cl-]
InChIInChI=1S/C18H23NO.ClH/c1-14(2)19-12-11-16-9-10-17(20-3)13-18(16)15-7-5-4-6-8-15;/h4-10,13-14,19H,11-12H2,1-3H3;1H
InChIKeyRLQHINDVQZJVSZ-UHFFFAOYSA-N
MW305.85 g/mol
LogP-0.12
Rot. Bonds6

About 2-(4-methoxy-2-phenylphenyl)ethyl-propan-2-ylazanium chloride

2-(4-methoxy-2-phenylphenyl)ethyl-propan-2-ylazanium chloride (PubChem CID 27181) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-(4-methoxy-2-phenylphenyl)ethyl-propan-2-ylazanium chloride.

Molecular Properties

Compound Name2-(4-methoxy-2-phenylphenyl)ethyl-propan-2-ylazanium chloride
PubChem CID27181
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name2-(4-methoxy-2-phenylphenyl)ethyl-propan-2-ylazanium chloride
SMILESCOc1ccc(CC[NH2+]C(C)C)c(-c2ccccc2)c1.[Cl-]
InChIInChI=1S/C18H23NO.ClH/c1-14(2)19-12-11-16-9-10-17(20-3)13-18(16)15-7-5-4-6-8-15;/h4-10,13-14,19H,11-12H2,1-3H3;1H
InChIKeyRLQHINDVQZJVSZ-UHFFFAOYSA-N
XLogP-0.12
TPSA25.84 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 ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-phenylphenyl)ethyl-propan-2-ylazanium chloride?
The IUPAC name of 2-(4-methoxy-2-phenylphenyl)ethyl-propan-2-ylazanium chloride (CID 27181) is 2-(4-methoxy-2-phenylphenyl)ethyl-propan-2-ylazanium chloride.
What is the SMILES notation for 2-(4-methoxy-2-phenylphenyl)ethyl-propan-2-ylazanium chloride?
The canonical SMILES for 2-(4-methoxy-2-phenylphenyl)ethyl-propan-2-ylazanium chloride is COc1ccc(CC[NH2+]C(C)C)c(-c2ccccc2)c1.[Cl-].
What is the InChIKey of 2-(4-methoxy-2-phenylphenyl)ethyl-propan-2-ylazanium chloride?
The InChIKey is RLQHINDVQZJVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c1-14(2)19-12-11-16-9-10-17(20-3)13-18(16)15-7-5-4-6-8-15;/h4-10,13-14,19H,11-12H2,1-3H3;1H.
What are the key properties of 2-(4-methoxy-2-phenylphenyl)ethyl-propan-2-ylazanium chloride?
2-(4-methoxy-2-phenylphenyl)ethyl-propan-2-ylazanium chloride has a molecular weight of 305.85 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-phenylphenyl)ethyl-propan-2-ylazanium chloride is sourced from PubChem (CID 27181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).