[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine

C20H28N2O4 — CID 46222769

IUPAC[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
SMILESNCc1ccc(OCCOCCOCCOc2ccc(CN)cc2)cc1
InChIInChI=1S/C20H28N2O4/c21-15-17-1-5-19(6-2-17)25-13-11-23-9-10-24-12-14-26-20-7-3-18(16-22)4-8-20/h1-8H,9-16,21-22H2
InChIKeyNZWAFXSBBJZVBB-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.10
Rot. Bonds13

About [4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine

[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine (PubChem CID 46222769) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is [4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
PubChem CID46222769
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
SMILESNCc1ccc(OCCOCCOCCOc2ccc(CN)cc2)cc1
InChIInChI=1S/C20H28N2O4/c21-15-17-1-5-19(6-2-17)25-13-11-23-9-10-24-12-14-26-20-7-3-18(16-22)4-8-20/h1-8H,9-16,21-22H2
InChIKeyNZWAFXSBBJZVBB-UHFFFAOYSA-N
XLogP2.10
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]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-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine
CID 62460192
[4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
CID 43254164
[4-(2-hexoxyethoxy)phenyl]methanamine
CID 43254396
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
[4-(3-pentoxypropoxy)phenyl]methanamine
CID 43275017
[4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine
CID 43254235
1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene
CID 59116280
[4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 60999813
[4-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine
CID 20990903
[4-(4-butoxyphenyl)phenyl]methanamine
CID 43366436
[4-(4-propoxyphenoxy)phenyl]methanamine
CID 28971093

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine?
The IUPAC name of [4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine (CID 46222769) is [4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine?
The canonical SMILES for [4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine is NCc1ccc(OCCOCCOCCOc2ccc(CN)cc2)cc1.
What is the InChIKey of [4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine?
The InChIKey is NZWAFXSBBJZVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c21-15-17-1-5-19(6-2-17)25-13-11-23-9-10-24-12-14-26-20-7-3-18(16-22)4-8-20/h1-8H,9-16,21-22H2.
What are the key properties of [4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine?
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine has a molecular weight of 360.45 g/mol, XLogP of 2.10, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine is sourced from PubChem (CID 46222769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).