N-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline

C14H23NO2 — CID 103178461

IUPACN-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline
SMILESCOCCCOCCNc1cccc(C)c1C
InChIInChI=1S/C14H23NO2/c1-12-6-4-7-14(13(12)2)15-8-11-17-10-5-9-16-3/h4,6-7,15H,5,8-11H2,1-3H3
InChIKeyZKLOGBASVWFSMR-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.77
Rot. Bonds8

About N-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline

N-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline (PubChem CID 103178461) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline
PubChem CID103178461
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline
SMILESCOCCCOCCNc1cccc(C)c1C
InChIInChI=1S/C14H23NO2/c1-12-6-4-7-14(13(12)2)15-8-11-17-10-5-9-16-3/h4,6-7,15H,5,8-11H2,1-3H3
InChIKeyZKLOGBASVWFSMR-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-(3-methoxypropoxy)ethyl]-2-methylaniline
CID 103178607
1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine
CID 114041355
2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile
CID 114003061
N-(2-butoxyethyl)-3-chloro-2-methylaniline
CID 61482959
N-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide
CID 47069804
N-(6-methoxyhexyl)-2-methylaniline
CID 59493757
3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline
CID 112752565
3-bromo-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 62566662
N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dimethylaniline
CID 54797775
2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 54797849
N'-(2,3-dimethylphenyl)pentane-1,5-diamine
CID 129283902
N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 54805936

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline (CID 103178461) is N-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline is COCCCOCCNc1cccc(C)c1C.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline?
The InChIKey is ZKLOGBASVWFSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12-6-4-7-14(13(12)2)15-8-11-17-10-5-9-16-3/h4,6-7,15H,5,8-11H2,1-3H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline?
N-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline has a molecular weight of 237.34 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline is sourced from PubChem (CID 103178461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).