N-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]ethanamine

C20H27NO2 — CID 92927972

IUPACN-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCOc2cc(C)cc(C)c2C)c1
InChIInChI=1S/C20H27NO2/c1-5-21-14-18-7-6-8-19(13-18)22-9-10-23-20-12-15(2)11-16(3)17(20)4/h6-8,11-13,21H,5,9-10,14H2,1-4H3
InChIKeyVAYDEWSUEOALIV-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.18
Rot. Bonds8

About N-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]ethanamine

N-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]ethanamine (PubChem CID 92927972) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]ethanamine
PubChem CID92927972
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCOc2cc(C)cc(C)c2C)c1
InChIInChI=1S/C20H27NO2/c1-5-21-14-18-7-6-8-19(13-18)22-9-10-23-20-12-15(2)11-16(3)17(20)4/h6-8,11-13,21H,5,9-10,14H2,1-4H3
InChIKeyVAYDEWSUEOALIV-UHFFFAOYSA-N
XLogP4.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.18
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

N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
3-[2-(2,3,5-trimethylphenoxy)ethoxy]benzonitrile
CID 20990181
N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 63942314
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine
CID 55074731
1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54804115
3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide
CID 62324546
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62421824
[3-(ethylaminomethyl)phenyl] hypochlorite
CID 163518139
N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 63776029

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]ethanamine (CID 92927972) is N-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]ethanamine is CCNCc1cccc(OCCOc2cc(C)cc(C)c2C)c1.
What is the InChIKey of N-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is VAYDEWSUEOALIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-5-21-14-18-7-6-8-19(13-18)22-9-10-23-20-12-15(2)11-16(3)17(20)4/h6-8,11-13,21H,5,9-10,14H2,1-4H3.
What are the key properties of N-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]ethanamine?
N-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 313.44 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 92927972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).