[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine

C17H21NO2 — CID 20988768

IUPAC[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine
SMILESCc1ccc(C)c(OCCOc2ccc(CN)cc2)c1
InChIInChI=1S/C17H21NO2/c1-13-3-4-14(2)17(11-13)20-10-9-19-16-7-5-15(12-18)6-8-16/h3-8,11H,9-10,12,18H2,1-2H3
InChIKeyFHUSWOBBMFJFQM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.22
Rot. Bonds6

About [4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine

[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine (PubChem CID 20988768) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine
PubChem CID20988768
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine
SMILESCc1ccc(C)c(OCCOc2ccc(CN)cc2)c1
InChIInChI=1S/C17H21NO2/c1-13-3-4-14(2)17(11-13)20-10-9-19-16-7-5-15(12-18)6-8-16/h3-8,11H,9-10,12,18H2,1-2H3
InChIKeyFHUSWOBBMFJFQM-UHFFFAOYSA-N
XLogP3.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine
CID 102980810
[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine
CID 107655709
[4-[3-(2-fluoro-5-methylphenoxy)propoxy]phenyl]methanamine
CID 64856154
4-[2-(2,5-dimethylphenoxy)ethoxy]benzoic acid
CID 22681502
5-[3-(2,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097167
[4-[2-(2-bromo-4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 104706837
(2,5-dimethylphenoxy)methanamine
CID 89376053
2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine
CID 43531012
[4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine
CID 107168782
[3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine
CID 64854022
4-[[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 22683001
[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 20992565

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine (CID 20988768) is [4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine is Cc1ccc(C)c(OCCOc2ccc(CN)cc2)c1.
What is the InChIKey of [4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine?
The InChIKey is FHUSWOBBMFJFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-3-4-14(2)17(11-13)20-10-9-19-16-7-5-15(12-18)6-8-16/h3-8,11H,9-10,12,18H2,1-2H3.
What are the key properties of [4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine?
[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 20988768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).