N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride

C17H22ClNO — CID 23725051

IUPACN-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride
SMILESCNCCOC(c1ccccc1)c1ccccc1C.Cl
InChIInChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)17(19-13-12-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H
InChIKeyYAXWIYFUVISXRS-UHFFFAOYSA-N
MW291.82 g/mol
LogP3.74
Rot. Bonds6

About N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride

N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride (PubChem CID 23725051) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride
PubChem CID23725051
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC NameN-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride
SMILESCNCCOC(c1ccccc1)c1ccccc1C.Cl
InChIInChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)17(19-13-12-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H
InChIKeyYAXWIYFUVISXRS-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride?
The IUPAC name of N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride (CID 23725051) is N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride is CNCCOC(c1ccccc1)c1ccccc1C.Cl.
What is the InChIKey of N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride?
The InChIKey is YAXWIYFUVISXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)17(19-13-12-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H.
What are the key properties of N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride?
N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride is sourced from PubChem (CID 23725051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).