N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-4-(ethoxymethyl)aniline

C15H21NO2 — CID 100686166

IUPACN-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-4-(ethoxymethyl)aniline
SMILESCCOCc1ccc(NC[C@H]2CCC=CO2)cc1
InChIInChI=1S/C15H21NO2/c1-2-17-12-13-6-8-14(9-7-13)16-11-15-5-3-4-10-18-15/h4,6-10,15-16H,2-3,5,11-12H2,1H3/t15-/m1/s1
InChIKeyMYMSCENLAVHWPF-OAHLLOKOSA-N
MW247.34 g/mol
LogP3.33
Rot. Bonds6

About N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-4-(ethoxymethyl)aniline

N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-4-(ethoxymethyl)aniline (PubChem CID 100686166) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-4-(ethoxymethyl)aniline.

Molecular Properties

Compound NameN-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-4-(ethoxymethyl)aniline
PubChem CID100686166
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-4-(ethoxymethyl)aniline
SMILESCCOCc1ccc(NC[C@H]2CCC=CO2)cc1
InChIInChI=1S/C15H21NO2/c1-2-17-12-13-6-8-14(9-7-13)16-11-15-5-3-4-10-18-15/h4,6-10,15-16H,2-3,5,11-12H2,1H3/t15-/m1/s1
InChIKeyMYMSCENLAVHWPF-OAHLLOKOSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-4-(ethoxymethyl)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 N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-4-(ethoxymethyl)aniline?
The IUPAC name of N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-4-(ethoxymethyl)aniline (CID 100686166) is N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-4-(ethoxymethyl)aniline.
What is the SMILES notation for N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-4-(ethoxymethyl)aniline?
The canonical SMILES for N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-4-(ethoxymethyl)aniline is CCOCc1ccc(NC[C@H]2CCC=CO2)cc1.
What is the InChIKey of N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-4-(ethoxymethyl)aniline?
The InChIKey is MYMSCENLAVHWPF-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-17-12-13-6-8-14(9-7-13)16-11-15-5-3-4-10-18-15/h4,6-10,15-16H,2-3,5,11-12H2,1H3/t15-/m1/s1.
What are the key properties of N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-4-(ethoxymethyl)aniline?
N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-4-(ethoxymethyl)aniline has a molecular weight of 247.34 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-4-(ethoxymethyl)aniline is sourced from PubChem (CID 100686166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).