N-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine

C20H27NO2 — CID 70269096

IUPACN-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1cccc(OC)c1OCCc1ccccc1
InChIInChI=1S/C20H27NO2/c1-3-14-21-15-12-18-10-7-11-19(22-2)20(18)23-16-13-17-8-5-4-6-9-17/h4-11,21H,3,12-16H2,1-2H3
InChIKeyWNVHYWBRKONMBK-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.86
Rot. Bonds10

About N-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine

N-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine (PubChem CID 70269096) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine
PubChem CID70269096
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1cccc(OC)c1OCCc1ccccc1
InChIInChI=1S/C20H27NO2/c1-3-14-21-15-12-18-10-7-11-19(22-2)20(18)23-16-13-17-8-5-4-6-9-17/h4-11,21H,3,12-16H2,1-2H3
InChIKeyWNVHYWBRKONMBK-UHFFFAOYSA-N
XLogP3.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.86
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-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-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

Related Compounds

N-[(3-methoxy-2-pentoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804480
1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
CID 54803600
N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 106261219
2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol
CID 92928362
N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804200
N-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine
CID 18790238
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine
CID 62449814
N-[[3-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]methyl]propan-1-amine
CID 63775094
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 54807813
N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-2-phenylethanamine
CID 39455826
N-benzyl-2-(2,3-diethoxyphenyl)ethanamine
CID 69362422

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine (CID 70269096) is N-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine is CCCNCCc1cccc(OC)c1OCCc1ccccc1.
What is the InChIKey of N-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is WNVHYWBRKONMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-3-14-21-15-12-18-10-7-11-19(22-2)20(18)23-16-13-17-8-5-4-6-9-17/h4-11,21H,3,12-16H2,1-2H3.
What are the key properties of N-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine?
N-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 313.44 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 70269096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).