[2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine

C18H23NO2 — CID 65338686

IUPAC[2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine
SMILESCOc1ccc(COc2cc(C)cc(C)c2C)cc1CN
InChIInChI=1S/C18H23NO2/c1-12-7-13(2)14(3)18(8-12)21-11-15-5-6-17(20-4)16(9-15)10-19/h5-9H,10-11,19H2,1-4H3
InChIKeyRZBCKFMPHHYMEJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.66
Rot. Bonds5

About [2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine

[2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine (PubChem CID 65338686) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine
PubChem CID65338686
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine
SMILESCOc1ccc(COc2cc(C)cc(C)c2C)cc1CN
InChIInChI=1S/C18H23NO2/c1-12-7-13(2)14(3)18(8-12)21-11-15-5-6-17(20-4)16(9-15)10-19/h5-9H,10-11,19H2,1-4H3
InChIKeyRZBCKFMPHHYMEJ-UHFFFAOYSA-N
XLogP3.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338540
[2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine
CID 65338310
1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene
CID 63457710
[5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338262
[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 43314321
[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62671085
[2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 106786180
2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
CID 170868758
[3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 63457064
4-[(2,3,5-trimethylphenoxy)methyl]benzoic acid
CID 7017419
[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 65341080
[5-fluoro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine
CID 107694762

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine (CID 65338686) is [2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine is COc1ccc(COc2cc(C)cc(C)c2C)cc1CN.
What is the InChIKey of [2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine?
The InChIKey is RZBCKFMPHHYMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-7-13(2)14(3)18(8-12)21-11-15-5-6-17(20-4)16(9-15)10-19/h5-9H,10-11,19H2,1-4H3.
What are the key properties of [2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine?
[2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 65338686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).