N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine

C17H29NO3 — CID 116719019

IUPACN-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
SMILESCCCC(OC)C(NCC)c1ccccc1OCCOC
InChIInChI=1S/C17H29NO3/c1-5-9-16(20-4)17(18-6-2)14-10-7-8-11-15(14)21-13-12-19-3/h7-8,10-11,16-18H,5-6,9,12-13H2,1-4H3
InChIKeyWDGVHFVRTNRIQN-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.18
Rot. Bonds11

About N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine

N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine (PubChem CID 116719019) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
PubChem CID116719019
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
SMILESCCCC(OC)C(NCC)c1ccccc1OCCOC
InChIInChI=1S/C17H29NO3/c1-5-9-16(20-4)17(18-6-2)14-10-7-8-11-15(14)21-13-12-19-3/h7-8,10-11,16-18H,5-6,9,12-13H2,1-4H3
InChIKeyWDGVHFVRTNRIQN-UHFFFAOYSA-N
XLogP3.18
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-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

[2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]pentyl]hydrazine
CID 105271536
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660193
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 105180487
1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine
CID 104660428
2-ethyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylbutan-1-amine
CID 105035375
N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660475
1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine
CID 105035328
1-[2-(2-methoxyethoxy)phenyl]-2-methylpentan-1-amine
CID 105035286
1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine
CID 79492567
N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yloxyethanamine
CID 105180537
1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine
CID 105035211
2-butan-2-ylsulfanyl-N-ethyl-1-[2-(2-methoxyethoxy)phenyl]ethanamine
CID 104660236

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine (CID 116719019) is N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine is CCCC(OC)C(NCC)c1ccccc1OCCOC.
What is the InChIKey of N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine?
The InChIKey is WDGVHFVRTNRIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-9-16(20-4)17(18-6-2)14-10-7-8-11-15(14)21-13-12-19-3/h7-8,10-11,16-18H,5-6,9,12-13H2,1-4H3.
What are the key properties of N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine?
N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 3.18, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine is sourced from PubChem (CID 116719019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).