N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine

C16H27NO3 — CID 43206881

IUPACN-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCCOc1ccc(C(C)NCCCOCCOC)cc1
InChIInChI=1S/C16H27NO3/c1-4-20-16-8-6-15(7-9-16)14(2)17-10-5-11-19-13-12-18-3/h6-9,14,17H,4-5,10-13H2,1-3H3
InChIKeyXSDWRCRAGWFKLH-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.79
Rot. Bonds11

About N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine

N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 43206881) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
PubChem CID43206881
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCCOc1ccc(C(C)NCCCOCCOC)cc1
InChIInChI=1S/C16H27NO3/c1-4-20-16-8-6-15(7-9-16)14(2)17-10-5-11-19-13-12-18-3/h6-9,14,17H,4-5,10-13H2,1-3H3
InChIKeyXSDWRCRAGWFKLH-UHFFFAOYSA-N
XLogP2.79
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)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-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28720966
3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43206900
3-(2-methoxyethoxy)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28720895
3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115704468
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine
CID 104562502
(1S)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81370691
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 54914008
5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine
CID 103779924
N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate
CID 82344816
3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 113219272

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine (CID 43206881) is N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine is CCOc1ccc(C(C)NCCCOCCOC)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is XSDWRCRAGWFKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-20-16-8-6-15(7-9-16)14(2)17-10-5-11-19-13-12-18-3/h6-9,14,17H,4-5,10-13H2,1-3H3.
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine?
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.79, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 43206881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).