[(2-methoxy-4-methylphenyl)-phenylmethyl]azanium chloride

C15H18ClNO — CID 121438246

IUPAC[(2-methoxy-4-methylphenyl)-phenylmethyl]azanium chloride
SMILESCOc1cc(C)ccc1C([NH3+])c1ccccc1.[Cl-]
InChIInChI=1S/C15H17NO.ClH/c1-11-8-9-13(14(10-11)17-2)15(16)12-6-4-3-5-7-12;/h3-10,15H,16H2,1-2H3;1H
InChIKeyVXURZCONDZQVIQ-UHFFFAOYSA-N
MW263.77 g/mol
LogP-0.66
Rot. Bonds3

About [(2-methoxy-4-methylphenyl)-phenylmethyl]azanium chloride

[(2-methoxy-4-methylphenyl)-phenylmethyl]azanium chloride (PubChem CID 121438246) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is [(2-methoxy-4-methylphenyl)-phenylmethyl]azanium chloride.

Molecular Properties

Compound Name[(2-methoxy-4-methylphenyl)-phenylmethyl]azanium chloride
PubChem CID121438246
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name[(2-methoxy-4-methylphenyl)-phenylmethyl]azanium chloride
SMILESCOc1cc(C)ccc1C([NH3+])c1ccccc1.[Cl-]
InChIInChI=1S/C15H17NO.ClH/c1-11-8-9-13(14(10-11)17-2)15(16)12-6-4-3-5-7-12;/h3-10,15H,16H2,1-2H3;1H
InChIKeyVXURZCONDZQVIQ-UHFFFAOYSA-N
XLogP-0.66
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 7127648
2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
CID 55017730
1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 127021057
(3,5-dimethylphenyl)-(2-methoxy-4-methylphenyl)methanol
CID 106790985
[(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride
CID 121438268
(1S)-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-pyridin-3-ylethanamine
CID 81344839
(2,6-dimethoxy-4-methylphenyl)-phenylmethanol
CID 101134795
[(S)-(3,4-dimethoxyphenyl)-(4-methylphenyl)methyl]azanium
CID 7183177
2-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43757835
1-(2-methoxy-4-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 106792109
N-[(2-methoxy-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106792216
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine
CID 43773913

Frequently Asked Questions

What is the IUPAC name of [(2-methoxy-4-methylphenyl)-phenylmethyl]azanium chloride?
The IUPAC name of [(2-methoxy-4-methylphenyl)-phenylmethyl]azanium chloride (CID 121438246) is [(2-methoxy-4-methylphenyl)-phenylmethyl]azanium chloride.
What is the SMILES notation for [(2-methoxy-4-methylphenyl)-phenylmethyl]azanium chloride?
The canonical SMILES for [(2-methoxy-4-methylphenyl)-phenylmethyl]azanium chloride is COc1cc(C)ccc1C([NH3+])c1ccccc1.[Cl-].
What is the InChIKey of [(2-methoxy-4-methylphenyl)-phenylmethyl]azanium chloride?
The InChIKey is VXURZCONDZQVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.ClH/c1-11-8-9-13(14(10-11)17-2)15(16)12-6-4-3-5-7-12;/h3-10,15H,16H2,1-2H3;1H.
What are the key properties of [(2-methoxy-4-methylphenyl)-phenylmethyl]azanium chloride?
[(2-methoxy-4-methylphenyl)-phenylmethyl]azanium chloride has a molecular weight of 263.77 g/mol, XLogP of -0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methoxy-4-methylphenyl)-phenylmethyl]azanium chloride is sourced from PubChem (CID 121438246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).