[2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine

C18H23NO2 — CID 106786322

IUPAC[2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine
SMILESCCCc1ccc(OCc2ccc(CN)c(OC)c2)cc1
InChIInChI=1S/C18H23NO2/c1-3-4-14-6-9-17(10-7-14)21-13-15-5-8-16(12-19)18(11-15)20-2/h5-11H,3-4,12-13,19H2,1-2H3
InChIKeyXRXUNOYPOUGVGY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.69
Rot. Bonds7

About [2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine

[2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine (PubChem CID 106786322) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine
PubChem CID106786322
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine
SMILESCCCc1ccc(OCc2ccc(CN)c(OC)c2)cc1
InChIInChI=1S/C18H23NO2/c1-3-4-14-6-9-17(10-7-14)21-13-15-5-8-16(12-19)18(11-15)20-2/h5-11H,3-4,12-13,19H2,1-2H3
InChIKeyXRXUNOYPOUGVGY-UHFFFAOYSA-N
XLogP3.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786175
[4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786294
2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile
CID 106788610
[2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 106786180
2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353296
[2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine
CID 106786332
[2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine
CID 106786198
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353294
[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 69143790
[4-[(4-ethylphenoxy)methyl]-3-propylphenyl]methanamine
CID 170299721
[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62018565

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine (CID 106786322) is [2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine is CCCc1ccc(OCc2ccc(CN)c(OC)c2)cc1.
What is the InChIKey of [2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine?
The InChIKey is XRXUNOYPOUGVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-4-14-6-9-17(10-7-14)21-13-15-5-8-16(12-19)18(11-15)20-2/h5-11H,3-4,12-13,19H2,1-2H3.
What are the key properties of [2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine?
[2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 106786322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).