3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline

C14H22N2O2 — CID 80748537

IUPAC3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline
SMILESCCOc1cc(N)cc(OCCN2CCCC2)c1
InChIInChI=1S/C14H22N2O2/c1-2-17-13-9-12(15)10-14(11-13)18-8-7-16-5-3-4-6-16/h9-11H,2-8,15H2,1H3
InChIKeyWYQUSQHOJMAHNS-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.14
Rot. Bonds6

About 3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline

3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline (PubChem CID 80748537) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline.

Molecular Properties

Compound Name3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline
PubChem CID80748537
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline
SMILESCCOc1cc(N)cc(OCCN2CCCC2)c1
InChIInChI=1S/C14H22N2O2/c1-2-17-13-9-12(15)10-14(11-13)18-8-7-16-5-3-4-6-16/h9-11H,2-8,15H2,1H3
InChIKeyWYQUSQHOJMAHNS-UHFFFAOYSA-N
XLogP2.14
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
3,5-diethoxyaniline
CID 22605063
3-nitro-5-(2-piperidin-1-ylethoxy)aniline
CID 80870989
3-ethoxy-5-pyrrolidin-1-ylaniline
CID 80725867
3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 18327476
3-N-methyl-5-propoxy-3-N-(2-pyrrolidin-1-ylethyl)benzene-1,3-diamine
CID 80735443
2-[4-(3-amino-5-ethoxyphenyl)-1,4-diazepan-1-yl]ethanol
CID 107213906
3-amino-5-ethoxy-4-(2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 82057247
1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine
CID 90706793
3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline
CID 106891018
3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline
CID 43174249
1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane
CID 43162465

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline?
The IUPAC name of 3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline (CID 80748537) is 3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline.
What is the SMILES notation for 3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline?
The canonical SMILES for 3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline is CCOc1cc(N)cc(OCCN2CCCC2)c1.
What is the InChIKey of 3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline?
The InChIKey is WYQUSQHOJMAHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-17-13-9-12(15)10-14(11-13)18-8-7-16-5-3-4-6-16/h9-11H,2-8,15H2,1H3.
What are the key properties of 3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline?
3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline has a molecular weight of 250.34 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline is sourced from PubChem (CID 80748537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).