[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine

C17H21NO2 — CID 65338540

IUPAC[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
SMILESCOc1ccc(COc2cc(C)ccc2C)cc1CN
InChIInChI=1S/C17H21NO2/c1-12-4-5-13(2)17(8-12)20-11-14-6-7-16(19-3)15(9-14)10-18/h4-9H,10-11,18H2,1-3H3
InChIKeyNTDRHDXGHLOCBK-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.35
Rot. Bonds5

About [5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine

[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine (PubChem CID 65338540) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
PubChem CID65338540
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
SMILESCOc1ccc(COc2cc(C)ccc2C)cc1CN
InChIInChI=1S/C17H21NO2/c1-12-4-5-13(2)17(8-12)20-11-14-6-7-16(19-3)15(9-14)10-18/h4-9H,10-11,18H2,1-3H3
InChIKeyNTDRHDXGHLOCBK-UHFFFAOYSA-N
XLogP3.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine
CID 65338686
2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
CID 170868758
[2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine
CID 65338310
[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62671085
[5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine
CID 65340174
[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine
CID 61481790
[5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338262
[2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 106786180
[3-[(2,5-dimethylphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114032
[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 65341080
[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786175
(2,5-dimethylphenoxy)methanamine
CID 89376053

Frequently Asked Questions

What is the IUPAC name of [5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine?
The IUPAC name of [5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine (CID 65338540) is [5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine.
What is the SMILES notation for [5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine?
The canonical SMILES for [5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine is COc1ccc(COc2cc(C)ccc2C)cc1CN.
What is the InChIKey of [5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine?
The InChIKey is NTDRHDXGHLOCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-4-5-13(2)17(8-12)20-11-14-6-7-16(19-3)15(9-14)10-18/h4-9H,10-11,18H2,1-3H3.
What are the key properties of [5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine?
[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine is sourced from PubChem (CID 65338540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).