3-[3-(1-ethoxypropan-2-yloxy)propyl]aniline

C14H23NO2 — CID 103488473

IUPAC3-[3-(1-ethoxypropan-2-yloxy)propyl]aniline
SMILESCCOCC(C)OCCCc1cccc(N)c1
InChIInChI=1S/C14H23NO2/c1-3-16-11-12(2)17-9-5-7-13-6-4-8-14(15)10-13/h4,6,8,10,12H,3,5,7,9,11,15H2,1-2H3
InChIKeyAMMAOJJUOJNCTP-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.64
Rot. Bonds8

About 3-[3-(1-ethoxypropan-2-yloxy)propyl]aniline

3-[3-(1-ethoxypropan-2-yloxy)propyl]aniline (PubChem CID 103488473) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-[3-(1-ethoxypropan-2-yloxy)propyl]aniline.

Molecular Properties

Compound Name3-[3-(1-ethoxypropan-2-yloxy)propyl]aniline
PubChem CID103488473
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-[3-(1-ethoxypropan-2-yloxy)propyl]aniline
SMILESCCOCC(C)OCCCc1cccc(N)c1
InChIInChI=1S/C14H23NO2/c1-3-16-11-12(2)17-9-5-7-13-6-4-8-14(15)10-13/h4,6,8,10,12H,3,5,7,9,11,15H2,1-2H3
InChIKeyAMMAOJJUOJNCTP-UHFFFAOYSA-N
XLogP2.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(1-ethoxypropan-2-yloxy)propyl]aniline
CID 103488443
[3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine
CID 103487057
3-pentylaniline
CID 19911390
3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline
CID 82257317
3-docosylaniline
CID 139654071
ethyl 4-(3-aminophenyl)butanoate
CID 66895353
5-(3-aminophenyl)pentanal
CID 54510654
3-[3-(1-ethoxypropan-2-yloxy)propoxy]benzonitrile
CID 103488216
6-(3-aminophenyl)-3-methylhexan-2-ol
CID 89100979
ethyl 5-(3-aminophenyl)pentanoate
CID 11775691
3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide
CID 55009959
3-[[bis(2-ethoxyethyl)amino]methyl]aniline
CID 82965943

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethoxypropan-2-yloxy)propyl]aniline?
The IUPAC name of 3-[3-(1-ethoxypropan-2-yloxy)propyl]aniline (CID 103488473) is 3-[3-(1-ethoxypropan-2-yloxy)propyl]aniline.
What is the SMILES notation for 3-[3-(1-ethoxypropan-2-yloxy)propyl]aniline?
The canonical SMILES for 3-[3-(1-ethoxypropan-2-yloxy)propyl]aniline is CCOCC(C)OCCCc1cccc(N)c1.
What is the InChIKey of 3-[3-(1-ethoxypropan-2-yloxy)propyl]aniline?
The InChIKey is AMMAOJJUOJNCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-16-11-12(2)17-9-5-7-13-6-4-8-14(15)10-13/h4,6,8,10,12H,3,5,7,9,11,15H2,1-2H3.
What are the key properties of 3-[3-(1-ethoxypropan-2-yloxy)propyl]aniline?
3-[3-(1-ethoxypropan-2-yloxy)propyl]aniline has a molecular weight of 237.34 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethoxypropan-2-yloxy)propyl]aniline is sourced from PubChem (CID 103488473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).