N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine

C12H20N2O — CID 54808097

IUPACN'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine
SMILESCCNCCNc1cccc(OCC)c1
InChIInChI=1S/C12H20N2O/c1-3-13-8-9-14-11-6-5-7-12(10-11)15-4-2/h5-7,10,13-14H,3-4,8-9H2,1-2H3
InChIKeyDSWKGTPUHJRZKF-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.11
Rot. Bonds7

About N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine

N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine (PubChem CID 54808097) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine
PubChem CID54808097
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine
SMILESCCNCCNc1cccc(OCC)c1
InChIInChI=1S/C12H20N2O/c1-3-13-8-9-14-11-6-5-7-12(10-11)15-4-2/h5-7,10,13-14H,3-4,8-9H2,1-2H3
InChIKeyDSWKGTPUHJRZKF-UHFFFAOYSA-N
XLogP2.11
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807112
N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 54808363
3-ethoxy-N-propylaniline
CID 54800867
N'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54808343
N'-(3,5-dimethylphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807611
N'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54805983
N-tert-butyl-3-ethoxyaniline
CID 58745523
N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54808068
3-ethoxy-N-(2-phenylethyl)aniline
CID 13391245
3-(3-ethoxyphenoxy)-N-ethylpropan-1-amine
CID 62337478
N-heptyl-N'-(3-hexoxyphenyl)ethane-1,2-diamine
CID 54807056
N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807830

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine?
The IUPAC name of N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine (CID 54808097) is N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine is CCNCCNc1cccc(OCC)c1.
What is the InChIKey of N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine?
The InChIKey is DSWKGTPUHJRZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-13-8-9-14-11-6-5-7-12(10-11)15-4-2/h5-7,10,13-14H,3-4,8-9H2,1-2H3.
What are the key properties of N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine?
N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine has a molecular weight of 208.30 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 54808097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).