N-[2-(2-ethoxyphenoxy)ethyl]-2,5-dimethylpyrrol-1-amine

C16H22N2O2 — CID 79100111

IUPACN-[2-(2-ethoxyphenoxy)ethyl]-2,5-dimethylpyrrol-1-amine
SMILESCCOc1ccccc1OCCNn1c(C)ccc1C
InChIInChI=1S/C16H22N2O2/c1-4-19-15-7-5-6-8-16(15)20-12-11-17-18-13(2)9-10-14(18)3/h5-10,17H,4,11-12H2,1-3H3
InChIKeyIGRFBTAGDNSLOT-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.13
Rot. Bonds7

About N-[2-(2-ethoxyphenoxy)ethyl]-2,5-dimethylpyrrol-1-amine

N-[2-(2-ethoxyphenoxy)ethyl]-2,5-dimethylpyrrol-1-amine (PubChem CID 79100111) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenoxy)ethyl]-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenoxy)ethyl]-2,5-dimethylpyrrol-1-amine
PubChem CID79100111
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[2-(2-ethoxyphenoxy)ethyl]-2,5-dimethylpyrrol-1-amine
SMILESCCOc1ccccc1OCCNn1c(C)ccc1C
InChIInChI=1S/C16H22N2O2/c1-4-19-15-7-5-6-8-16(15)20-12-11-17-18-13(2)9-10-14(18)3/h5-10,17H,4,11-12H2,1-3H3
InChIKeyIGRFBTAGDNSLOT-UHFFFAOYSA-N
XLogP3.13
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-2-amine
CID 55070885
2-[2-(2-ethoxyphenoxy)ethyl]-1,1-dimethylhydrazine
CID 83015100
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-1-amine
CID 62454697
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylbutan-2-amine
CID 55088165
N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
2-(2-ethoxyphenoxy)-N-(2-methoxyethoxy)ethanamine
CID 82723021
N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
CID 117068187
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79090813
2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol
CID 114332030
2-(2-ethoxyphenoxy)-N-(2-methylpropoxy)ethanamine
CID 82715408
2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39392014
N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine
CID 107844838

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenoxy)ethyl]-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-[2-(2-ethoxyphenoxy)ethyl]-2,5-dimethylpyrrol-1-amine (CID 79100111) is N-[2-(2-ethoxyphenoxy)ethyl]-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-[2-(2-ethoxyphenoxy)ethyl]-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-[2-(2-ethoxyphenoxy)ethyl]-2,5-dimethylpyrrol-1-amine is CCOc1ccccc1OCCNn1c(C)ccc1C.
What is the InChIKey of N-[2-(2-ethoxyphenoxy)ethyl]-2,5-dimethylpyrrol-1-amine?
The InChIKey is IGRFBTAGDNSLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-19-15-7-5-6-8-16(15)20-12-11-17-18-13(2)9-10-14(18)3/h5-10,17H,4,11-12H2,1-3H3.
What are the key properties of N-[2-(2-ethoxyphenoxy)ethyl]-2,5-dimethylpyrrol-1-amine?
N-[2-(2-ethoxyphenoxy)ethyl]-2,5-dimethylpyrrol-1-amine has a molecular weight of 274.36 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenoxy)ethyl]-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 79100111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).