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

C11H18N2O — CID 54808363

IUPACN'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
SMILESCCOc1cccc(NCCNC)c1
InChIInChI=1S/C11H18N2O/c1-3-14-11-6-4-5-10(9-11)13-8-7-12-2/h4-6,9,12-13H,3,7-8H2,1-2H3
InChIKeyXTNILLKAIUFFKV-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.72
Rot. Bonds6

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

N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine (PubChem CID 54808363) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
PubChem CID54808363
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
SMILESCCOc1cccc(NCCNC)c1
InChIInChI=1S/C11H18N2O/c1-3-14-11-6-4-5-10(9-11)13-8-7-12-2/h4-6,9,12-13H,3,7-8H2,1-2H3
InChIKeyXTNILLKAIUFFKV-UHFFFAOYSA-N
XLogP1.72
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.72
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

3-ethoxy-N-propylaniline
CID 54800867
N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808097
N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807112
N'-(3,5-dimethylphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807611
N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54808068
N'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54805983
3-ethoxy-N-(2-phenylethyl)aniline
CID 13391245
N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807830
N'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54808343
N-tert-butyl-3-ethoxyaniline
CID 58745523
N-(3-ethoxyphenyl)hydroxylamine
CID 13347158
3-ethoxy-N-(pyridin-4-ylmethyl)aniline
CID 54864999

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine (CID 54808363) is N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine is CCOc1cccc(NCCNC)c1.
What is the InChIKey of N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine?
The InChIKey is XTNILLKAIUFFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-14-11-6-4-5-10(9-11)13-8-7-12-2/h4-6,9,12-13H,3,7-8H2,1-2H3.
What are the key properties of N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine?
N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 54808363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).