N-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine

C26H31NO2 — CID 21421947

IUPACN-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine
SMILESCCOC(c1ccccc1)c1ccc(OCCNC(C)Cc2ccccc2)cc1
InChIInChI=1S/C26H31NO2/c1-3-28-26(23-12-8-5-9-13-23)24-14-16-25(17-15-24)29-19-18-27-21(2)20-22-10-6-4-7-11-22/h4-17,21,26-27H,3,18-20H2,1-2H3
InChIKeyHREZEHAADKPOKI-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.41
Rot. Bonds11

About N-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine

N-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine (PubChem CID 21421947) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine
PubChem CID21421947
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC NameN-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine
SMILESCCOC(c1ccccc1)c1ccc(OCCNC(C)Cc2ccccc2)cc1
InChIInChI=1S/C26H31NO2/c1-3-28-26(23-12-8-5-9-13-23)24-14-16-25(17-15-24)29-19-18-27-21(2)20-22-10-6-4-7-11-22/h4-17,21,26-27H,3,18-20H2,1-2H3
InChIKeyHREZEHAADKPOKI-UHFFFAOYSA-N
XLogP5.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol
CID 76965912
1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one
CID 92938916
N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597
N-[2-(3-bromophenoxy)ethyl]-1-phenylpropan-2-amine
CID 63011429
N-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride
CID 21421948
N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine
CID 63504622
1-ethoxy-1-phenyl-N-(1-phenylpropan-2-yl)propan-2-amine
CID 110176857
3,3-diphenyl-N-(1-phenylpropan-2-yl)propan-1-amine
CID 9801
1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine
CID 115495201
N-[2-(2-ethoxy-3-fluorophenoxy)ethyl]-1-(4-propoxyphenyl)propan-2-amine
CID 22157047
1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine
CID 114829606
N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine
CID 1378355

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine (CID 21421947) is N-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine is CCOC(c1ccccc1)c1ccc(OCCNC(C)Cc2ccccc2)cc1.
What is the InChIKey of N-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine?
The InChIKey is HREZEHAADKPOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-3-28-26(23-12-8-5-9-13-23)24-14-16-25(17-15-24)29-19-18-27-21(2)20-22-10-6-4-7-11-22/h4-17,21,26-27H,3,18-20H2,1-2H3.
What are the key properties of N-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine?
N-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine has a molecular weight of 389.54 g/mol, XLogP of 5.41, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 21421947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).