N-[1-(1-methoxyethoxy)ethyl]aniline

C11H17NO2 — CID 89281099

IUPACN-[1-(1-methoxyethoxy)ethyl]aniline
SMILESCOC(C)OC(C)Nc1ccccc1
InChIInChI=1S/C11H17NO2/c1-9(14-10(2)13-3)12-11-7-5-4-6-8-11/h4-10,12H,1-3H3
InChIKeyZBMRRKWENOSETM-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.45
Rot. Bonds5

About N-[1-(1-methoxyethoxy)ethyl]aniline

N-[1-(1-methoxyethoxy)ethyl]aniline (PubChem CID 89281099) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[1-(1-methoxyethoxy)ethyl]aniline.

Molecular Properties

Compound NameN-[1-(1-methoxyethoxy)ethyl]aniline
PubChem CID89281099
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-[1-(1-methoxyethoxy)ethyl]aniline
SMILESCOC(C)OC(C)Nc1ccccc1
InChIInChI=1S/C11H17NO2/c1-9(14-10(2)13-3)12-11-7-5-4-6-8-11/h4-10,12H,1-3H3
InChIKeyZBMRRKWENOSETM-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[1-(1-methoxyethoxy)ethyl]aniline 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-(1-phenoxyethyl)aniline
CID 21395897
N-(1-propoxyethyl)aniline
CID 173276827
N-[1-(4-methylphenoxy)ethyl]aniline
CID 154338063
1-methoxyethoxybenzene
CID 18188895
2-methoxy-1-N'-phenylethane-1,1-diamine
CID 139645747
methyl 2-anilinopropanoate
CID 3417283
2-anilino-2-methoxyacetonitrile
CID 68980759
N-(1-methoxyethyl)-4-methylaniline
CID 174872064
1-anilinoethanol;hydrate
CID 173450384
1-N-methyl-1-N'-phenylethane-1,1-diamine
CID 88759522
N-(1-trimethoxysilylpropan-2-yl)aniline
CID 22495234
(1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine
CID 12543528

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methoxyethoxy)ethyl]aniline?
The IUPAC name of N-[1-(1-methoxyethoxy)ethyl]aniline (CID 89281099) is N-[1-(1-methoxyethoxy)ethyl]aniline.
What is the SMILES notation for N-[1-(1-methoxyethoxy)ethyl]aniline?
The canonical SMILES for N-[1-(1-methoxyethoxy)ethyl]aniline is COC(C)OC(C)Nc1ccccc1.
What is the InChIKey of N-[1-(1-methoxyethoxy)ethyl]aniline?
The InChIKey is ZBMRRKWENOSETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(14-10(2)13-3)12-11-7-5-4-6-8-11/h4-10,12H,1-3H3.
What are the key properties of N-[1-(1-methoxyethoxy)ethyl]aniline?
N-[1-(1-methoxyethoxy)ethyl]aniline has a molecular weight of 195.26 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methoxyethoxy)ethyl]aniline is sourced from PubChem (CID 89281099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).