N-[3-[4-(2-methoxyphenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-phenylaniline

C27H30N2O2 — CID 12763894

IUPACN-[3-[4-(2-methoxyphenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-phenylaniline
SMILESCOc1ccccc1OC1=CCN(CCCN(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H30N2O2/c1-30-26-15-8-9-16-27(26)31-25-17-21-28(22-18-25)19-10-20-29(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-9,11-17H,10,18-22H2,1H3
InChIKeyHVZWBUIKBSOFRP-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.89
Rot. Bonds9

About N-[3-[4-(2-methoxyphenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-phenylaniline

N-[3-[4-(2-methoxyphenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-phenylaniline (PubChem CID 12763894) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyphenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyphenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-phenylaniline
PubChem CID12763894
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC NameN-[3-[4-(2-methoxyphenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-phenylaniline
SMILESCOc1ccccc1OC1=CCN(CCCN(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H30N2O2/c1-30-26-15-8-9-16-27(26)31-25-17-21-28(22-18-25)19-10-20-29(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-9,11-17H,10,18-22H2,1H3
InChIKeyHVZWBUIKBSOFRP-UHFFFAOYSA-N
XLogP5.89
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methoxyphenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-phenylaniline?
The IUPAC name of N-[3-[4-(2-methoxyphenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-phenylaniline (CID 12763894) is N-[3-[4-(2-methoxyphenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-phenylaniline.
What is the SMILES notation for N-[3-[4-(2-methoxyphenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-phenylaniline?
The canonical SMILES for N-[3-[4-(2-methoxyphenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-phenylaniline is COc1ccccc1OC1=CCN(CCCN(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[3-[4-(2-methoxyphenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-phenylaniline?
The InChIKey is HVZWBUIKBSOFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-30-26-15-8-9-16-27(26)31-25-17-21-28(22-18-25)19-10-20-29(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-9,11-17H,10,18-22H2,1H3.
What are the key properties of N-[3-[4-(2-methoxyphenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-phenylaniline?
N-[3-[4-(2-methoxyphenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-phenylaniline has a molecular weight of 414.55 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyphenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-phenylaniline is sourced from PubChem (CID 12763894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).