1-(3,5-dimethylphenyl)-2-methoxy-2-phenylethanamine

C17H21NO — CID 116772917

IUPAC1-(3,5-dimethylphenyl)-2-methoxy-2-phenylethanamine
SMILESCOC(c1ccccc1)C(N)c1cc(C)cc(C)c1
InChIInChI=1S/C17H21NO/c1-12-9-13(2)11-15(10-12)16(18)17(19-3)14-7-5-4-6-8-14/h4-11,16-17H,18H2,1-3H3
InChIKeyVSAHBWJFVIKKDZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.69
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-2-methoxy-2-phenylethanamine

1-(3,5-dimethylphenyl)-2-methoxy-2-phenylethanamine (PubChem CID 116772917) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-methoxy-2-phenylethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-methoxy-2-phenylethanamine
PubChem CID116772917
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(3,5-dimethylphenyl)-2-methoxy-2-phenylethanamine
SMILESCOC(c1ccccc1)C(N)c1cc(C)cc(C)c1
InChIInChI=1S/C17H21NO/c1-12-9-13(2)11-15(10-12)16(18)17(19-3)14-7-5-4-6-8-14/h4-11,16-17H,18H2,1-3H3
InChIKeyVSAHBWJFVIKKDZ-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(2-methoxy-5-methylphenyl)-2-phenylethanamine
CID 116772779
2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanamine
CID 116772886
1-(4-cyclopropyloxyphenyl)-2-methoxy-2-phenylethanamine
CID 114519844
3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116757000
1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol
CID 116756883
1-(2,5-difluorophenyl)-2-methoxy-2-phenylethanamine
CID 116772931
2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 116772777
(1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine
CID 12051472
1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane
CID 145412167
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
methoxy-(3-methylphenyl)methanamine
CID 116947345
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267421

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-methoxy-2-phenylethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-methoxy-2-phenylethanamine (CID 116772917) is 1-(3,5-dimethylphenyl)-2-methoxy-2-phenylethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-methoxy-2-phenylethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-methoxy-2-phenylethanamine is COC(c1ccccc1)C(N)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-methoxy-2-phenylethanamine?
The InChIKey is VSAHBWJFVIKKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-9-13(2)11-15(10-12)16(18)17(19-3)14-7-5-4-6-8-14/h4-11,16-17H,18H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-methoxy-2-phenylethanamine?
1-(3,5-dimethylphenyl)-2-methoxy-2-phenylethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-methoxy-2-phenylethanamine is sourced from PubChem (CID 116772917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).