1-[2-ethoxy-5-(2-ethoxyethyl)phenyl]ethane-1,2-diamine

C14H24N2O2 — CID 170895100

IUPAC1-[2-ethoxy-5-(2-ethoxyethyl)phenyl]ethane-1,2-diamine
SMILESCCOCCc1ccc(OCC)c(C(N)CN)c1
InChIInChI=1S/C14H24N2O2/c1-3-17-8-7-11-5-6-14(18-4-2)12(9-11)13(16)10-15/h5-6,9,13H,3-4,7-8,10,15-16H2,1-2H3
InChIKeyLSGIHQKAAMVGGV-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.62
Rot. Bonds8

About 1-[2-ethoxy-5-(2-ethoxyethyl)phenyl]ethane-1,2-diamine

1-[2-ethoxy-5-(2-ethoxyethyl)phenyl]ethane-1,2-diamine (PubChem CID 170895100) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[2-ethoxy-5-(2-ethoxyethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[2-ethoxy-5-(2-ethoxyethyl)phenyl]ethane-1,2-diamine
PubChem CID170895100
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[2-ethoxy-5-(2-ethoxyethyl)phenyl]ethane-1,2-diamine
SMILESCCOCCc1ccc(OCC)c(C(N)CN)c1
InChIInChI=1S/C14H24N2O2/c1-3-17-8-7-11-5-6-14(18-4-2)12(9-11)13(16)10-15/h5-6,9,13H,3-4,7-8,10,15-16H2,1-2H3
InChIKeyLSGIHQKAAMVGGV-UHFFFAOYSA-N
XLogP1.62
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.62
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

(1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 66517495
1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 77131156
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
1,2-diethoxy-4-(3-ethoxypropyl)benzene
CID 142643440
1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine
CID 66516824
1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65181053
4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 116924946
1-ethoxy-3-(2-ethoxyethyl)benzene
CID 11644076
5-(4-ethoxy-3-fluorophenyl)pentan-2-amine
CID 116925039
1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine
CID 65176238
(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol
CID 66515336

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxy-5-(2-ethoxyethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of 1-[2-ethoxy-5-(2-ethoxyethyl)phenyl]ethane-1,2-diamine (CID 170895100) is 1-[2-ethoxy-5-(2-ethoxyethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-[2-ethoxy-5-(2-ethoxyethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for 1-[2-ethoxy-5-(2-ethoxyethyl)phenyl]ethane-1,2-diamine is CCOCCc1ccc(OCC)c(C(N)CN)c1.
What is the InChIKey of 1-[2-ethoxy-5-(2-ethoxyethyl)phenyl]ethane-1,2-diamine?
The InChIKey is LSGIHQKAAMVGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-17-8-7-11-5-6-14(18-4-2)12(9-11)13(16)10-15/h5-6,9,13H,3-4,7-8,10,15-16H2,1-2H3.
What are the key properties of 1-[2-ethoxy-5-(2-ethoxyethyl)phenyl]ethane-1,2-diamine?
1-[2-ethoxy-5-(2-ethoxyethyl)phenyl]ethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxy-5-(2-ethoxyethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 170895100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).