N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine

C27H27NO2 — CID 69271191

IUPACN-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine
SMILESCNCC(OCc1ccccc1)C(Oc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C27H27NO2/c1-28-19-26(29-20-21-11-4-2-5-12-21)27(23-14-6-3-7-15-23)30-25-18-10-16-22-13-8-9-17-24(22)25/h2-18,26-28H,19-20H2,1H3
InChIKeyLEBGTXUXUWAFAV-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.76
Rot. Bonds9

About N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine

N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine (PubChem CID 69271191) has the molecular formula C27H27NO2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine
PubChem CID69271191
Molecular FormulaC27H27NO2
Molecular Weight397.52 g/mol
Exact Mass397.20
IUPAC NameN-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine
SMILESCNCC(OCc1ccccc1)C(Oc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C27H27NO2/c1-28-19-26(29-20-21-11-4-2-5-12-21)27(23-14-6-3-7-15-23)30-25-18-10-16-22-13-8-9-17-24(22)25/h2-18,26-28H,19-20H2,1H3
InChIKeyLEBGTXUXUWAFAV-UHFFFAOYSA-N
XLogP5.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine 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 N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine?
The IUPAC name of N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine (CID 69271191) is N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine.
What is the SMILES notation for N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine?
The canonical SMILES for N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine is CNCC(OCc1ccccc1)C(Oc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine?
The InChIKey is LEBGTXUXUWAFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO2/c1-28-19-26(29-20-21-11-4-2-5-12-21)27(23-14-6-3-7-15-23)30-25-18-10-16-22-13-8-9-17-24(22)25/h2-18,26-28H,19-20H2,1H3.
What are the key properties of N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine?
N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine has a molecular weight of 397.52 g/mol, XLogP of 5.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine is sourced from PubChem (CID 69271191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).