4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline

C18H23NO2 — CID 61218955

IUPAC4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline
SMILESCc1cc(C)c(OCCCOc2ccc(N)cc2)c(C)c1
InChIInChI=1S/C18H23NO2/c1-13-11-14(2)18(15(3)12-13)21-10-4-9-20-17-7-5-16(19)6-8-17/h5-8,11-12H,4,9-10,19H2,1-3H3
InChIKeyIDTGGCUWHRGBMB-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.04
Rot. Bonds6

About 4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline

4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline (PubChem CID 61218955) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline.

Molecular Properties

Compound Name4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline
PubChem CID61218955
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline
SMILESCc1cc(C)c(OCCCOc2ccc(N)cc2)c(C)c1
InChIInChI=1S/C18H23NO2/c1-13-11-14(2)18(15(3)12-13)21-10-4-9-20-17-7-5-16(19)6-8-17/h5-8,11-12H,4,9-10,19H2,1-3H3
InChIKeyIDTGGCUWHRGBMB-UHFFFAOYSA-N
XLogP4.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[3-(2,4,6-trimethylphenoxy)propoxy]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

1,3,5-trimethyl-2-[2-(4-methylphenoxy)ethoxy]benzene
CID 143724561
3,5-dimethyl-2-(2-phenoxyethoxy)aniline
CID 54853263
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
5-[3-(3,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097173
4-(3-ethoxypropoxy)aniline
CID 43365878
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
4-[(2,4-dimethylphenyl)methoxy]aniline
CID 12822803
4-[3-(3,5-dimethylphenoxy)propoxy]benzaldehyde
CID 2219741
1-bromo-2-[2-(4-methoxyphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2283505
3-[3-(4-ethoxyphenoxy)propoxy]-4-methylaniline
CID 82097221
4-[3-(4-propylphenoxy)propoxy]aniline
CID 62548380
4-[3-(4-methylphenyl)sulfanylpropoxy]aniline
CID 43366275

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline?
The IUPAC name of 4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline (CID 61218955) is 4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline.
What is the SMILES notation for 4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline?
The canonical SMILES for 4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline is Cc1cc(C)c(OCCCOc2ccc(N)cc2)c(C)c1.
What is the InChIKey of 4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline?
The InChIKey is IDTGGCUWHRGBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-11-14(2)18(15(3)12-13)21-10-4-9-20-17-7-5-16(19)6-8-17/h5-8,11-12H,4,9-10,19H2,1-3H3.
What are the key properties of 4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline?
4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline is sourced from PubChem (CID 61218955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).