2-(2,3-dimethylphenoxy)-N-methyl-1-phenylethanamine;hydrochloride

C17H22ClNO — CID 164625435

IUPAC2-(2,3-dimethylphenoxy)-N-methyl-1-phenylethanamine;hydrochloride
SMILESCNC(COc1cccc(C)c1C)c1ccccc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-13-8-7-11-17(14(13)2)19-12-16(18-3)15-9-5-4-6-10-15;/h4-11,16,18H,12H2,1-3H3;1H
InChIKeyJNTGJIZDEIGNER-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.06
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-methyl-1-phenylethanamine;hydrochloride

2-(2,3-dimethylphenoxy)-N-methyl-1-phenylethanamine;hydrochloride (PubChem CID 164625435) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-methyl-1-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-methyl-1-phenylethanamine;hydrochloride
PubChem CID164625435
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name2-(2,3-dimethylphenoxy)-N-methyl-1-phenylethanamine;hydrochloride
SMILESCNC(COc1cccc(C)c1C)c1ccccc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-13-8-7-11-17(14(13)2)19-12-16(18-3)15-9-5-4-6-10-15;/h4-11,16,18H,12H2,1-3H3;1H
InChIKeyJNTGJIZDEIGNER-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63476125
N-methyl-1-(4-methylphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
CID 63474209
N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
CID 63473491
1-(2,2-dimethoxyethoxy)-2,3-dimethylbenzene
CID 4198790
2-(2,3-dimethylphenoxy)-N-methyl-2-phenylethanamine
CID 62454029
(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
CID 164614673
2-(2,3-dimethylphenoxy)-N-(1-phenylethyl)acetamide
CID 19172570
3-(2,3-dimethylphenoxy)-2-methylpropanenitrile
CID 43367428
2-(4-butylphenoxy)-N-methyl-1-phenylethanamine
CID 115492447
(2R)-1-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride
CID 164625864
1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine
CID 62042546
2-(2,6-dimethylphenoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 63476117

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-methyl-1-phenylethanamine;hydrochloride?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-methyl-1-phenylethanamine;hydrochloride (CID 164625435) is 2-(2,3-dimethylphenoxy)-N-methyl-1-phenylethanamine;hydrochloride.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-methyl-1-phenylethanamine;hydrochloride?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-methyl-1-phenylethanamine;hydrochloride is CNC(COc1cccc(C)c1C)c1ccccc1.Cl.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-methyl-1-phenylethanamine;hydrochloride?
The InChIKey is JNTGJIZDEIGNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.ClH/c1-13-8-7-11-17(14(13)2)19-12-16(18-3)15-9-5-4-6-10-15;/h4-11,16,18H,12H2,1-3H3;1H.
What are the key properties of 2-(2,3-dimethylphenoxy)-N-methyl-1-phenylethanamine;hydrochloride?
2-(2,3-dimethylphenoxy)-N-methyl-1-phenylethanamine;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-methyl-1-phenylethanamine;hydrochloride is sourced from PubChem (CID 164625435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).