4-methoxy-N-(3-naphthalen-2-yloxypropyl)-N-propylaniline

C23H27NO2 — CID 10427914

IUPAC4-methoxy-N-(3-naphthalen-2-yloxypropyl)-N-propylaniline
SMILESCCCN(CCCOc1ccc2ccccc2c1)c1ccc(OC)cc1
InChIInChI=1S/C23H27NO2/c1-3-15-24(21-10-13-22(25-2)14-11-21)16-6-17-26-23-12-9-19-7-4-5-8-20(19)18-23/h4-5,7-14,18H,3,6,15-17H2,1-2H3
InChIKeySNIGJFGCQATFIS-UHFFFAOYSA-N
MW349.47 g/mol
LogP5.53
Rot. Bonds9

About 4-methoxy-N-(3-naphthalen-2-yloxypropyl)-N-propylaniline

4-methoxy-N-(3-naphthalen-2-yloxypropyl)-N-propylaniline (PubChem CID 10427914) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 4-methoxy-N-(3-naphthalen-2-yloxypropyl)-N-propylaniline.

Molecular Properties

Compound Name4-methoxy-N-(3-naphthalen-2-yloxypropyl)-N-propylaniline
PubChem CID10427914
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name4-methoxy-N-(3-naphthalen-2-yloxypropyl)-N-propylaniline
SMILESCCCN(CCCOc1ccc2ccccc2c1)c1ccc(OC)cc1
InChIInChI=1S/C23H27NO2/c1-3-15-24(21-10-13-22(25-2)14-11-21)16-6-17-26-23-12-9-19-7-4-5-8-20(19)18-23/h4-5,7-14,18H,3,6,15-17H2,1-2H3
InChIKeySNIGJFGCQATFIS-UHFFFAOYSA-N
XLogP5.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.53
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 4-methoxy-N-(3-naphthalen-2-yloxypropyl)-N-propylaniline?
The IUPAC name of 4-methoxy-N-(3-naphthalen-2-yloxypropyl)-N-propylaniline (CID 10427914) is 4-methoxy-N-(3-naphthalen-2-yloxypropyl)-N-propylaniline.
What is the SMILES notation for 4-methoxy-N-(3-naphthalen-2-yloxypropyl)-N-propylaniline?
The canonical SMILES for 4-methoxy-N-(3-naphthalen-2-yloxypropyl)-N-propylaniline is CCCN(CCCOc1ccc2ccccc2c1)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-(3-naphthalen-2-yloxypropyl)-N-propylaniline?
The InChIKey is SNIGJFGCQATFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-3-15-24(21-10-13-22(25-2)14-11-21)16-6-17-26-23-12-9-19-7-4-5-8-20(19)18-23/h4-5,7-14,18H,3,6,15-17H2,1-2H3.
What are the key properties of 4-methoxy-N-(3-naphthalen-2-yloxypropyl)-N-propylaniline?
4-methoxy-N-(3-naphthalen-2-yloxypropyl)-N-propylaniline has a molecular weight of 349.47 g/mol, XLogP of 5.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-naphthalen-2-yloxypropyl)-N-propylaniline is sourced from PubChem (CID 10427914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).