3-fluoro-N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(3-piperidin-1-ylpropyl)aniline

C32H39FN2O2 — CID 66627362

IUPAC3-fluoro-N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(3-piperidin-1-ylpropyl)aniline
SMILESCOc1ccc2c(c1)CCC(c1ccc(OC)cc1Nc1ccc(CCCN3CCCCC3)c(F)c1)C2
InChIInChI=1S/C32H39FN2O2/c1-36-28-13-11-24-19-26(9-8-25(24)20-28)30-15-14-29(37-2)22-32(30)34-27-12-10-23(31(33)21-27)7-6-18-35-16-4-3-5-17-35/h10-15,20-22,26,34H,3-9,16-19H2,1-2H3
InChIKeyQPFUFNSZJRGGCG-UHFFFAOYSA-N
MW502.67 g/mol
LogP7.28
Rot. Bonds9

About 3-fluoro-N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(3-piperidin-1-ylpropyl)aniline

3-fluoro-N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(3-piperidin-1-ylpropyl)aniline (PubChem CID 66627362) has the molecular formula C32H39FN2O2 and a molecular weight of 502.67 g/mol. Its IUPAC name is 3-fluoro-N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(3-piperidin-1-ylpropyl)aniline.

Molecular Properties

Compound Name3-fluoro-N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(3-piperidin-1-ylpropyl)aniline
PubChem CID66627362
Molecular FormulaC32H39FN2O2
Molecular Weight502.67 g/mol
Exact Mass502.30
IUPAC Name3-fluoro-N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(3-piperidin-1-ylpropyl)aniline
SMILESCOc1ccc2c(c1)CCC(c1ccc(OC)cc1Nc1ccc(CCCN3CCCCC3)c(F)c1)C2
InChIInChI=1S/C32H39FN2O2/c1-36-28-13-11-24-19-26(9-8-25(24)20-28)30-15-14-29(37-2)22-32(30)34-27-12-10-23(31(33)21-27)7-6-18-35-16-4-3-5-17-35/h10-15,20-22,26,34H,3-9,16-19H2,1-2H3
InChIKeyQPFUFNSZJRGGCG-UHFFFAOYSA-N
XLogP7.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.67
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(3-piperidin-1-ylpropyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(3-piperidin-1-ylpropyl)aniline?
The IUPAC name of 3-fluoro-N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(3-piperidin-1-ylpropyl)aniline (CID 66627362) is 3-fluoro-N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(3-piperidin-1-ylpropyl)aniline.
What is the SMILES notation for 3-fluoro-N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(3-piperidin-1-ylpropyl)aniline?
The canonical SMILES for 3-fluoro-N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(3-piperidin-1-ylpropyl)aniline is COc1ccc2c(c1)CCC(c1ccc(OC)cc1Nc1ccc(CCCN3CCCCC3)c(F)c1)C2.
What is the InChIKey of 3-fluoro-N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(3-piperidin-1-ylpropyl)aniline?
The InChIKey is QPFUFNSZJRGGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FN2O2/c1-36-28-13-11-24-19-26(9-8-25(24)20-28)30-15-14-29(37-2)22-32(30)34-27-12-10-23(31(33)21-27)7-6-18-35-16-4-3-5-17-35/h10-15,20-22,26,34H,3-9,16-19H2,1-2H3.
What are the key properties of 3-fluoro-N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(3-piperidin-1-ylpropyl)aniline?
3-fluoro-N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(3-piperidin-1-ylpropyl)aniline has a molecular weight of 502.67 g/mol, XLogP of 7.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(3-piperidin-1-ylpropyl)aniline is sourced from PubChem (CID 66627362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).