[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine

C17H21NO2 — CID 43254277

IUPAC[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
SMILESCCc1cccc(OCCOc2ccc(CN)cc2)c1
InChIInChI=1S/C17H21NO2/c1-2-14-4-3-5-17(12-14)20-11-10-19-16-8-6-15(13-18)7-9-16/h3-9,12H,2,10-11,13,18H2,1H3
InChIKeyNJETVOLAAZVQET-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.17
Rot. Bonds7

About [4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine

[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine (PubChem CID 43254277) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
PubChem CID43254277
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
SMILESCCc1cccc(OCCOc2ccc(CN)cc2)c1
InChIInChI=1S/C17H21NO2/c1-2-14-4-3-5-17(12-14)20-11-10-19-16-8-6-15(13-18)7-9-16/h3-9,12H,2,10-11,13,18H2,1H3
InChIKeyNJETVOLAAZVQET-UHFFFAOYSA-N
XLogP3.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285
[4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine
CID 63986556
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
[3-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]phenyl]methanamine
CID 22687466
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene
CID 102046454
1-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43254110

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine (CID 43254277) is [4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine is CCc1cccc(OCCOc2ccc(CN)cc2)c1.
What is the InChIKey of [4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine?
The InChIKey is NJETVOLAAZVQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-14-4-3-5-17(12-14)20-11-10-19-16-8-6-15(13-18)7-9-16/h3-9,12H,2,10-11,13,18H2,1H3.
What are the key properties of [4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine?
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 43254277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).