4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid

C14H22N2O3 — CID 82539509

IUPAC4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid
SMILESCN(C)CCOc1ccc(NCCCC(=O)O)cc1
InChIInChI=1S/C14H22N2O3/c1-16(2)10-11-19-13-7-5-12(6-8-13)15-9-3-4-14(17)18/h5-8,15H,3-4,9-11H2,1-2H3,(H,17,18)
InChIKeyLOUDCGGTINTWOU-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.90
Rot. Bonds9

About 4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid

4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid (PubChem CID 82539509) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid
PubChem CID82539509
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid
SMILESCN(C)CCOc1ccc(NCCCC(=O)O)cc1
InChIInChI=1S/C14H22N2O3/c1-16(2)10-11-19-13-7-5-12(6-8-13)15-9-3-4-14(17)18/h5-8,15H,3-4,9-11H2,1-2H3,(H,17,18)
InChIKeyLOUDCGGTINTWOU-UHFFFAOYSA-N
XLogP1.90
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline
CID 82539793
N'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine
CID 117097736
4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline
CID 106675367
4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 54862447
3-[4-[3-(dimethylamino)propoxy]phenyl]propanoic acid
CID 20986252
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide
CID 113025743
[4-[2-(dimethylamino)ethoxy]anilino]urea
CID 144637882
3-[4-(hexylamino)phenoxy]propanamide
CID 43676527
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide
CID 87006868
2-(4-pentoxyanilino)acetic acid
CID 15310380
1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol
CID 168638697

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid?
The IUPAC name of 4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid (CID 82539509) is 4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid.
What is the SMILES notation for 4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid?
The canonical SMILES for 4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid is CN(C)CCOc1ccc(NCCCC(=O)O)cc1.
What is the InChIKey of 4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid?
The InChIKey is LOUDCGGTINTWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-16(2)10-11-19-13-7-5-12(6-8-13)15-9-3-4-14(17)18/h5-8,15H,3-4,9-11H2,1-2H3,(H,17,18).
What are the key properties of 4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid?
4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid is sourced from PubChem (CID 82539509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).