N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine

C21H30N2O — CID 10381752

IUPACN'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine
SMILESCCOCCCNCCNCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H30N2O/c1-2-24-17-9-14-22-15-16-23-18-21(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,21-23H,2,9,14-18H2,1H3
InChIKeyDFVAHAMGDISNAW-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.42
Rot. Bonds12

About N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine

N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine (PubChem CID 10381752) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine
PubChem CID10381752
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameN'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine
SMILESCCOCCCNCCNCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H30N2O/c1-2-24-17-9-14-22-15-16-23-18-21(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,21-23H,2,9,14-18H2,1H3
InChIKeyDFVAHAMGDISNAW-UHFFFAOYSA-N
XLogP3.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.42
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-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23394686
N-(2,2-diphenylethyl)-4-methoxybutan-1-amine
CID 103896916
N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine
CID 43182585
1-(3-ethoxypropyl)-2-(1-phenylpropyl)hydrazine
CID 142399996
5-ethoxy-N-ethyl-2-phenylpentan-1-amine
CID 65430782
N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine
CID 103603219
2-ethoxy-N-[2-(1-phenylethoxy)ethyl]ethanamine
CID 62566170
2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62572264
2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901286
N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine
CID 62598795
1-(3-ethoxypropyl)-3-(1-phenylpropyl)thiourea
CID 115596881
3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine
CID 55024091

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine (CID 10381752) is N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine is CCOCCCNCCNCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine?
The InChIKey is DFVAHAMGDISNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-2-24-17-9-14-22-15-16-23-18-21(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,21-23H,2,9,14-18H2,1H3.
What are the key properties of N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine?
N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine has a molecular weight of 326.48 g/mol, XLogP of 3.42, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 10381752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).