N-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline

C17H22N2O — CID 62001427

IUPACN-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline
SMILESCc1cc(C)cc(N(C)CCOc2cccc(N)c2)c1
InChIInChI=1S/C17H22N2O/c1-13-9-14(2)11-16(10-13)19(3)7-8-20-17-6-4-5-15(18)12-17/h4-6,9-12H,7-8,18H2,1-3H3
InChIKeyWEAGBMATZKAWOV-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.40
Rot. Bonds5

About N-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline

N-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline (PubChem CID 62001427) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline
PubChem CID62001427
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline
SMILESCc1cc(C)cc(N(C)CCOc2cccc(N)c2)c1
InChIInChI=1S/C17H22N2O/c1-13-9-14(2)11-16(10-13)19(3)7-8-20-17-6-4-5-15(18)12-17/h4-6,9-12H,7-8,18H2,1-3H3
InChIKeyWEAGBMATZKAWOV-UHFFFAOYSA-N
XLogP3.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
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CID 39109349
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CID 43365525
3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
CID 60892118
3-[(3,5-dimethylphenyl)methoxy]aniline
CID 54909105
3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline
CID 43587259
N-[2-(4-bromophenoxy)ethyl]-N,3-dimethylaniline
CID 63458172
N,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
CID 78845383
3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline
CID 61413705
5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol
CID 107198256
3-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 6502498
3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline (CID 62001427) is N-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline is Cc1cc(C)cc(N(C)CCOc2cccc(N)c2)c1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline?
The InChIKey is WEAGBMATZKAWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-9-14(2)11-16(10-13)19(3)7-8-20-17-6-4-5-15(18)12-17/h4-6,9-12H,7-8,18H2,1-3H3.
What are the key properties of N-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline?
N-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline has a molecular weight of 270.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline is sourced from PubChem (CID 62001427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).