N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine

C16H28N2O3 — CID 104561042

IUPACN'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine
SMILESCOCCOCCOCCN(CCCN)c1ccccc1
InChIInChI=1S/C16H28N2O3/c1-19-12-13-21-15-14-20-11-10-18(9-5-8-17)16-6-3-2-4-7-16/h2-4,6-7H,5,8-15,17H2,1H3
InChIKeyPGZQFNCKAGVHOZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.52
Rot. Bonds13

About N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine

N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine (PubChem CID 104561042) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine
PubChem CID104561042
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine
SMILESCOCCOCCOCCN(CCCN)c1ccccc1
InChIInChI=1S/C16H28N2O3/c1-19-12-13-21-15-14-20-11-10-18(9-5-8-17)16-6-3-2-4-7-16/h2-4,6-7H,5,8-15,17H2,1H3
InChIKeyPGZQFNCKAGVHOZ-UHFFFAOYSA-N
XLogP1.52
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]aniline
CID 169196905
N-butyl-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 164933283
4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid
CID 103410825
N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline
CID 155270742
3-[N-[2-(3-methoxypropoxy)ethyl]anilino]propanenitrile
CID 103179680
N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine
CID 83157179
3-[N-(3-aminopropyl)anilino]propanoic acid
CID 63654243
N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline
CID 124925556
3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol
CID 59211296
3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline
CID 156565420
N'-(2-methoxyethyl)-N'-(4-methylsulfonylphenyl)propane-1,3-diamine
CID 55172472
2-[N-(4-methoxybutyl)anilino]ethanol
CID 111544024

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine?
The IUPAC name of N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine (CID 104561042) is N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine is COCCOCCOCCN(CCCN)c1ccccc1.
What is the InChIKey of N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine?
The InChIKey is PGZQFNCKAGVHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-19-12-13-21-15-14-20-11-10-18(9-5-8-17)16-6-3-2-4-7-16/h2-4,6-7H,5,8-15,17H2,1H3.
What are the key properties of N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine?
N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine has a molecular weight of 296.41 g/mol, XLogP of 1.52, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 104561042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).