4-ethoxy-3-methoxy-N-pentylaniline

C14H23NO2 — CID 43229052

IUPAC4-ethoxy-3-methoxy-N-pentylaniline
SMILESCCCCCNc1ccc(OCC)c(OC)c1
InChIInChI=1S/C14H23NO2/c1-4-6-7-10-15-12-8-9-13(17-5-2)14(11-12)16-3/h8-9,11,15H,4-7,10H2,1-3H3
InChIKeyWDXOKPLHLLTMBQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.70
Rot. Bonds8

About 4-ethoxy-3-methoxy-N-pentylaniline

4-ethoxy-3-methoxy-N-pentylaniline (PubChem CID 43229052) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-pentylaniline.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-pentylaniline
PubChem CID43229052
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-ethoxy-3-methoxy-N-pentylaniline
SMILESCCCCCNc1ccc(OCC)c(OC)c1
InChIInChI=1S/C14H23NO2/c1-4-6-7-10-15-12-8-9-13(17-5-2)14(11-12)16-3/h8-9,11,15H,4-7,10H2,1-3H3
InChIKeyWDXOKPLHLLTMBQ-UHFFFAOYSA-N
XLogP3.70
TPSA30.49 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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-decyl-3-fluoro-4-methoxyaniline
CID 63489598
3-chloro-N-heptyl-4-methoxyaniline
CID 43129175
N'-(3,4-diethoxyphenyl)propane-1,3-diamine
CID 62505868
4-ethoxy-3-methoxy-N-methylaniline
CID 63089329
N-butyl-N'-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 14998841
N-(3,4-dimethoxyphenyl)-N',N'-dipentylethane-1,2-diamine
CID 56980865
N-butyl-3,4-dipropoxyaniline
CID 83961551
2-methoxy-5-(pentylamino)benzenesulfonamide
CID 143880253
3,4-diethoxy-N-hept-6-enylaniline
CID 107006456
N-butyl-3-(chloromethyl)-4-ethoxyaniline
CID 65024868
N-hexyl-3,4,5-trimethoxyaniline
CID 28876878
N-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide
CID 59549730

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-pentylaniline?
The IUPAC name of 4-ethoxy-3-methoxy-N-pentylaniline (CID 43229052) is 4-ethoxy-3-methoxy-N-pentylaniline.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-pentylaniline?
The canonical SMILES for 4-ethoxy-3-methoxy-N-pentylaniline is CCCCCNc1ccc(OCC)c(OC)c1.
What is the InChIKey of 4-ethoxy-3-methoxy-N-pentylaniline?
The InChIKey is WDXOKPLHLLTMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-6-7-10-15-12-8-9-13(17-5-2)14(11-12)16-3/h8-9,11,15H,4-7,10H2,1-3H3.
What are the key properties of 4-ethoxy-3-methoxy-N-pentylaniline?
4-ethoxy-3-methoxy-N-pentylaniline has a molecular weight of 237.34 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-pentylaniline is sourced from PubChem (CID 43229052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).