4-(2-methyltridec-2-en-4-yloxy)aniline

C20H33NO — CID 151981592

IUPAC4-(2-methyltridec-2-en-4-yloxy)aniline
SMILESCCCCCCCCCC(C=C(C)C)Oc1ccc(N)cc1
InChIInChI=1S/C20H33NO/c1-4-5-6-7-8-9-10-11-20(16-17(2)3)22-19-14-12-18(21)13-15-19/h12-16,20H,4-11,21H2,1-3H3
InChIKeyUCUFGFIDIUONDN-UHFFFAOYSA-N
MW303.49 g/mol
LogP6.12
Rot. Bonds11

About 4-(2-methyltridec-2-en-4-yloxy)aniline

4-(2-methyltridec-2-en-4-yloxy)aniline (PubChem CID 151981592) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 4-(2-methyltridec-2-en-4-yloxy)aniline.

Molecular Properties

Compound Name4-(2-methyltridec-2-en-4-yloxy)aniline
PubChem CID151981592
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name4-(2-methyltridec-2-en-4-yloxy)aniline
SMILESCCCCCCCCCC(C=C(C)C)Oc1ccc(N)cc1
InChIInChI=1S/C20H33NO/c1-4-5-6-7-8-9-10-11-20(16-17(2)3)22-19-14-12-18(21)13-15-19/h12-16,20H,4-11,21H2,1-3H3
InChIKeyUCUFGFIDIUONDN-UHFFFAOYSA-N
XLogP6.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(2-methyltridec-2-en-4-yloxy)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

4-[1-(4-aminophenoxy)octoxy]aniline
CID 90332086
2-phenoxyundecanal
CID 57130450
3-[1-(4-aminophenoxy)hexoxy]aniline
CID 146356105
5-[1-(4-aminophenoxy)hexoxy]-2-methylaniline
CID 146356065
2-methyldec-2-en-4-amine
CID 59335300
4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline
CID 22919999
4-docosan-2-ylaniline
CID 22757336
4-(1-aminooctyl)aniline
CID 137458153
4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline
CID 22920190
4-(2-heptoxyethoxy)aniline
CID 43366149
4-octan-3-yloxyphenol
CID 54268247
4-(4-octan-2-yloxyphenyl)phenol
CID 14419509

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyltridec-2-en-4-yloxy)aniline?
The IUPAC name of 4-(2-methyltridec-2-en-4-yloxy)aniline (CID 151981592) is 4-(2-methyltridec-2-en-4-yloxy)aniline.
What is the SMILES notation for 4-(2-methyltridec-2-en-4-yloxy)aniline?
The canonical SMILES for 4-(2-methyltridec-2-en-4-yloxy)aniline is CCCCCCCCCC(C=C(C)C)Oc1ccc(N)cc1.
What is the InChIKey of 4-(2-methyltridec-2-en-4-yloxy)aniline?
The InChIKey is UCUFGFIDIUONDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-4-5-6-7-8-9-10-11-20(16-17(2)3)22-19-14-12-18(21)13-15-19/h12-16,20H,4-11,21H2,1-3H3.
What are the key properties of 4-(2-methyltridec-2-en-4-yloxy)aniline?
4-(2-methyltridec-2-en-4-yloxy)aniline has a molecular weight of 303.49 g/mol, XLogP of 6.12, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyltridec-2-en-4-yloxy)aniline is sourced from PubChem (CID 151981592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).