N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine

C13H22N2O — CID 115195419

IUPACN'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine
SMILESCCOc1ccc(CCNCCN)cc1C
InChIInChI=1S/C13H22N2O/c1-3-16-13-5-4-12(10-11(13)2)6-8-15-9-7-14/h4-5,10,15H,3,6-9,14H2,1-2H3
InChIKeyYERSCMZBWRZXQO-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.48
Rot. Bonds7

About N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine

N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine (PubChem CID 115195419) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine
PubChem CID115195419
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine
SMILESCCOc1ccc(CCNCCN)cc1C
InChIInChI=1S/C13H22N2O/c1-3-16-13-5-4-12(10-11(13)2)6-8-15-9-7-14/h4-5,10,15H,3,6-9,14H2,1-2H3
InChIKeyYERSCMZBWRZXQO-UHFFFAOYSA-N
XLogP1.48
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.48
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

4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one
CID 115235921
1-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine
CID 115256919
3-(4-ethoxy-3-methylphenyl)-N-methylpropan-1-amine
CID 95439947
2-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]butan-1-ol
CID 115251012
N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide
CID 110788838
3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol
CID 82097746
4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 116924946
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195380
4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine
CID 96659154
2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol
CID 98014591
N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 82097748
N-(2-chloroethyl)-2-(4-ethoxy-3-fluorophenyl)ethanamine
CID 115215056

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine (CID 115195419) is N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine is CCOc1ccc(CCNCCN)cc1C.
What is the InChIKey of N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is YERSCMZBWRZXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-16-13-5-4-12(10-11(13)2)6-8-15-9-7-14/h4-5,10,15H,3,6-9,14H2,1-2H3.
What are the key properties of N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine?
N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 115195419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).