1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine

C18H23NO2 — CID 61028878

IUPAC1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)ccc1OCc1cc(C)cc(C)c1
InChIInChI=1S/C18H23NO2/c1-13-7-14(2)9-15(8-13)12-21-18-6-5-17(20-4)10-16(18)11-19-3/h5-10,19H,11-12H2,1-4H3
InChIKeyNHVJGXOAHKFMGV-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.61
Rot. Bonds6

About 1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine

1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine (PubChem CID 61028878) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
PubChem CID61028878
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)ccc1OCc1cc(C)cc(C)c1
InChIInChI=1S/C18H23NO2/c1-13-7-14(2)9-15(8-13)12-21-18-6-5-17(20-4)10-16(18)11-19-3/h5-10,19H,11-12H2,1-4H3
InChIKeyNHVJGXOAHKFMGV-UHFFFAOYSA-N
XLogP3.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63322567
1-(2-ethoxy-5-methoxyphenyl)-N-methylmethanamine
CID 43276259
1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880600
1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 65321998
1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 60881982
1-(2-but-2-ynoxy-5-methoxyphenyl)-N-methylmethanamine
CID 62311325
1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880406
1-[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880037
1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 54957615
1-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 43560073
1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine
CID 123641873
1-[4-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61268156

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine (CID 61028878) is 1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine is CNCc1cc(OC)ccc1OCc1cc(C)cc(C)c1.
What is the InChIKey of 1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine?
The InChIKey is NHVJGXOAHKFMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-7-14(2)9-15(8-13)12-21-18-6-5-17(20-4)10-16(18)11-19-3/h5-10,19H,11-12H2,1-4H3.
What are the key properties of 1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine?
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 61028878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).