N'-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]ethane-1,2-diamine

C14H24N2O2 — CID 2280740

IUPACN'-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
SMILESCCc1ccc(OCCOCCNCCN)cc1
InChIInChI=1S/C14H24N2O2/c1-2-13-3-5-14(6-4-13)18-12-11-17-10-9-16-8-7-15/h3-6,16H,2,7-12,15H2,1H3
InChIKeyRYRJCGNNYCCCOX-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.19
Rot. Bonds10

About N'-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]ethane-1,2-diamine

N'-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]ethane-1,2-diamine (PubChem CID 2280740) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
PubChem CID2280740
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN'-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
SMILESCCc1ccc(OCCOCCNCCN)cc1
InChIInChI=1S/C14H24N2O2/c1-2-13-3-5-14(6-4-13)18-12-11-17-10-9-16-8-7-15/h3-6,16H,2,7-12,15H2,1H3
InChIKeyRYRJCGNNYCCCOX-UHFFFAOYSA-N
XLogP1.19
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2280947
N'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2280836
N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine
CID 55195709
2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine
CID 62582718
N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride
CID 75531601
N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2923613
1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene
CID 102046454
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
N-[2-(4-ethylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62572737
N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine
CID 60887585
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
diethyl-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]azanium
CID 2246292

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]ethane-1,2-diamine (CID 2280740) is N'-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]ethane-1,2-diamine is CCc1ccc(OCCOCCNCCN)cc1.
What is the InChIKey of N'-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]ethane-1,2-diamine?
The InChIKey is RYRJCGNNYCCCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-13-3-5-14(6-4-13)18-12-11-17-10-9-16-8-7-15/h3-6,16H,2,7-12,15H2,1H3.
What are the key properties of N'-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]ethane-1,2-diamine?
N'-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]ethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.19, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 2280740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).