[4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine

C21H30N2O2 — CID 143390890

IUPAC[4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine
SMILESCC(COc1ccc(CN)cc1)CC(C)COc1ccc(CN)cc1
InChIInChI=1S/C21H30N2O2/c1-16(14-24-20-7-3-18(12-22)4-8-20)11-17(2)15-25-21-9-5-19(13-23)6-10-21/h3-10,16-17H,11-15,22-23H2,1-2H3
InChIKeyCMATXWBFRUFMSE-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.72
Rot. Bonds10

About [4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine

[4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine (PubChem CID 143390890) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is [4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine
PubChem CID143390890
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name[4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine
SMILESCC(COc1ccc(CN)cc1)CC(C)COc1ccc(CN)cc1
InChIInChI=1S/C21H30N2O2/c1-16(14-24-20-7-3-18(12-22)4-8-20)11-17(2)15-25-21-9-5-19(13-23)6-10-21/h3-10,16-17H,11-15,22-23H2,1-2H3
InChIKeyCMATXWBFRUFMSE-UHFFFAOYSA-N
XLogP3.72
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methylbutoxy)phenyl]methanamine
CID 62105657
2-[4-(2-methylbutoxy)phenyl]ethanamine
CID 62105840
3-[4-(aminomethyl)phenoxy]-2-methylpropanamide
CID 43311802
3-(4-butylphenoxy)-2-methylpropan-1-amine
CID 115492916
4-(4-ethylphenoxy)-3-methylbutan-1-amine
CID 112515228
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
1-(2,4-dimethylheptoxy)-4-methylbenzene
CID 144527074
[4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine
CID 43174546
1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol
CID 79481508
[4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
CID 43254164
1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol
CID 43531533
1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol
CID 63685060

Frequently Asked Questions

What is the IUPAC name of [4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine?
The IUPAC name of [4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine (CID 143390890) is [4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine.
What is the SMILES notation for [4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine?
The canonical SMILES for [4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine is CC(COc1ccc(CN)cc1)CC(C)COc1ccc(CN)cc1.
What is the InChIKey of [4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine?
The InChIKey is CMATXWBFRUFMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16(14-24-20-7-3-18(12-22)4-8-20)11-17(2)15-25-21-9-5-19(13-23)6-10-21/h3-10,16-17H,11-15,22-23H2,1-2H3.
What are the key properties of [4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine?
[4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine has a molecular weight of 342.48 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine is sourced from PubChem (CID 143390890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).