[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine

C17H21NO2 — CID 61481790

IUPAC[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine
SMILESCOc1ccc(OCc2cc(C)ccc2C)c(CN)c1
InChIInChI=1S/C17H21NO2/c1-12-4-5-13(2)15(8-12)11-20-17-7-6-16(19-3)9-14(17)10-18/h4-9H,10-11,18H2,1-3H3
InChIKeyRBAMXJGTUKYYRB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.35
Rot. Bonds5

About [2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine

[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine (PubChem CID 61481790) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine
PubChem CID61481790
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine
SMILESCOc1ccc(OCc2cc(C)ccc2C)c(CN)c1
InChIInChI=1S/C17H21NO2/c1-12-4-5-13(2)15(8-12)11-20-17-7-6-16(19-3)9-14(17)10-18/h4-9H,10-11,18H2,1-3H3
InChIKeyRBAMXJGTUKYYRB-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-[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]ethanamine
CID 61482092
2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene
CID 104707496
4-[[2-(aminomethyl)-4-methoxyphenoxy]methyl]-3-methylbenzonitrile
CID 114479461
[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338540
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002762
[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62697998
[2-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60878519
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 60906080
[2-[(2-bromophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322646
1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 65321998
[4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine
CID 62543773

Frequently Asked Questions

What is the IUPAC name of [2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine?
The IUPAC name of [2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine (CID 61481790) is [2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine.
What is the SMILES notation for [2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine?
The canonical SMILES for [2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine is COc1ccc(OCc2cc(C)ccc2C)c(CN)c1.
What is the InChIKey of [2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine?
The InChIKey is RBAMXJGTUKYYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-4-5-13(2)15(8-12)11-20-17-7-6-16(19-3)9-14(17)10-18/h4-9H,10-11,18H2,1-3H3.
What are the key properties of [2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine?
[2-[(2,5-dimethylphenyl)methoxy]-5-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 [2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine is sourced from PubChem (CID 61481790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).