[4-methoxy-3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine

C19H25NO3 — CID 20987904

IUPAC[4-methoxy-3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine
SMILESCOc1ccc(CN)cc1OCCOc1c(C)ccc(C)c1C
InChIInChI=1S/C19H25NO3/c1-13-5-6-14(2)19(15(13)3)23-10-9-22-18-11-16(12-20)7-8-17(18)21-4/h5-8,11H,9-10,12,20H2,1-4H3
InChIKeyUJLHIJRBQPRASV-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.54
Rot. Bonds7

About [4-methoxy-3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine

[4-methoxy-3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine (PubChem CID 20987904) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is [4-methoxy-3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine
PubChem CID20987904
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name[4-methoxy-3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine
SMILESCOc1ccc(CN)cc1OCCOc1c(C)ccc(C)c1C
InChIInChI=1S/C19H25NO3/c1-13-5-6-14(2)19(15(13)3)23-10-9-22-18-11-16(12-20)7-8-17(18)21-4/h5-8,11H,9-10,12,20H2,1-4H3
InChIKeyUJLHIJRBQPRASV-UHFFFAOYSA-N
XLogP3.54
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112587988
[3-[2-(2,5-dichlorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 22682500
[4-[2-(2-tert-butyl-6-methylphenoxy)ethoxy]-3-methoxyphenyl]methanamine
CID 20991673
[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine
CID 22681699
(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride
CID 19871589
(3-heptoxy-4-methoxyphenyl)methanamine
CID 43129051
[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 20989786
[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
CID 43810786
[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine
CID 107655709
2-[4-(2-methoxy-4-methylphenoxy)butoxy]-1,3,4-trimethylbenzene
CID 2285808
[5-chloro-2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine
CID 20994270

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [4-methoxy-3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine (CID 20987904) is [4-methoxy-3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-methoxy-3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [4-methoxy-3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine is COc1ccc(CN)cc1OCCOc1c(C)ccc(C)c1C.
What is the InChIKey of [4-methoxy-3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine?
The InChIKey is UJLHIJRBQPRASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-13-5-6-14(2)19(15(13)3)23-10-9-22-18-11-16(12-20)7-8-17(18)21-4/h5-8,11H,9-10,12,20H2,1-4H3.
What are the key properties of [4-methoxy-3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine?
[4-methoxy-3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine has a molecular weight of 315.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 20987904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).