N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine

C15H25NO2 — CID 62107338

IUPACN-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine
SMILESCOCCCOC(CNC(C)C)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-13(2)16-12-15(18-11-7-10-17-3)14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,7,10-12H2,1-3H3
InChIKeyLGHHQJMOQOGWLH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.78
Rot. Bonds9

About N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine

N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine (PubChem CID 62107338) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine
PubChem CID62107338
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine
SMILESCOCCCOC(CNC(C)C)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-13(2)16-12-15(18-11-7-10-17-3)14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,7,10-12H2,1-3H3
InChIKeyLGHHQJMOQOGWLH-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-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

N-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine
CID 62106452
N-[2-phenyl-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108300
N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine
CID 115942665
2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-phenylethanamine
CID 103405244
N-[2-phenyl-2-(2-piperidin-1-ylethoxy)ethyl]propan-2-amine
CID 62458613
N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 62456729
3-(3-methoxypropoxy)-3-phenylpropanenitrile
CID 115001313
N-[2-(2-methoxyethoxy)-2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 62108685
N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 63475005
N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine
CID 103180489
4-methoxy-3-methyl-2-phenyl-N-propan-2-ylbutan-1-amine
CID 113473075
N-[2-(furan-2-ylmethoxy)-2-phenylethyl]propan-2-amine
CID 62444274

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine?
The IUPAC name of N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine (CID 62107338) is N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine?
The canonical SMILES for N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine is COCCCOC(CNC(C)C)c1ccccc1.
What is the InChIKey of N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine?
The InChIKey is LGHHQJMOQOGWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13(2)16-12-15(18-11-7-10-17-3)14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,7,10-12H2,1-3H3.
What are the key properties of N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine?
N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine is sourced from PubChem (CID 62107338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).