N-ethyl-4-methoxy-N-(3-naphthalen-2-yloxypropyl)aniline

C22H25NO2 — CID 10427088

IUPACN-ethyl-4-methoxy-N-(3-naphthalen-2-yloxypropyl)aniline
SMILESCCN(CCCOc1ccc2ccccc2c1)c1ccc(OC)cc1
InChIInChI=1S/C22H25NO2/c1-3-23(20-10-13-21(24-2)14-11-20)15-6-16-25-22-12-9-18-7-4-5-8-19(18)17-22/h4-5,7-14,17H,3,6,15-16H2,1-2H3
InChIKeyDMMIYQGWGHEHPO-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.14
Rot. Bonds8

About N-ethyl-4-methoxy-N-(3-naphthalen-2-yloxypropyl)aniline

N-ethyl-4-methoxy-N-(3-naphthalen-2-yloxypropyl)aniline (PubChem CID 10427088) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-ethyl-4-methoxy-N-(3-naphthalen-2-yloxypropyl)aniline.

Molecular Properties

Compound NameN-ethyl-4-methoxy-N-(3-naphthalen-2-yloxypropyl)aniline
PubChem CID10427088
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC NameN-ethyl-4-methoxy-N-(3-naphthalen-2-yloxypropyl)aniline
SMILESCCN(CCCOc1ccc2ccccc2c1)c1ccc(OC)cc1
InChIInChI=1S/C22H25NO2/c1-3-23(20-10-13-21(24-2)14-11-20)15-6-16-25-22-12-9-18-7-4-5-8-19(18)17-22/h4-5,7-14,17H,3,6,15-16H2,1-2H3
InChIKeyDMMIYQGWGHEHPO-UHFFFAOYSA-N
XLogP5.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.14
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-N-(3-naphthalen-2-yloxypropyl)aniline?
The IUPAC name of N-ethyl-4-methoxy-N-(3-naphthalen-2-yloxypropyl)aniline (CID 10427088) is N-ethyl-4-methoxy-N-(3-naphthalen-2-yloxypropyl)aniline.
What is the SMILES notation for N-ethyl-4-methoxy-N-(3-naphthalen-2-yloxypropyl)aniline?
The canonical SMILES for N-ethyl-4-methoxy-N-(3-naphthalen-2-yloxypropyl)aniline is CCN(CCCOc1ccc2ccccc2c1)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-4-methoxy-N-(3-naphthalen-2-yloxypropyl)aniline?
The InChIKey is DMMIYQGWGHEHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-3-23(20-10-13-21(24-2)14-11-20)15-6-16-25-22-12-9-18-7-4-5-8-19(18)17-22/h4-5,7-14,17H,3,6,15-16H2,1-2H3.
What are the key properties of N-ethyl-4-methoxy-N-(3-naphthalen-2-yloxypropyl)aniline?
N-ethyl-4-methoxy-N-(3-naphthalen-2-yloxypropyl)aniline has a molecular weight of 335.45 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-N-(3-naphthalen-2-yloxypropyl)aniline is sourced from PubChem (CID 10427088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).