5-chloro-2-decoxyaniline

C16H26ClNO — CID 55187694

IUPAC5-chloro-2-decoxyaniline
SMILESCCCCCCCCCCOc1ccc(Cl)cc1N
InChIInChI=1S/C16H26ClNO/c1-2-3-4-5-6-7-8-9-12-19-16-11-10-14(17)13-15(16)18/h10-11,13H,2-9,12,18H2,1H3
InChIKeyMVPIERDAUBSNIB-UHFFFAOYSA-N
MW283.84 g/mol
LogP5.44
Rot. Bonds10

About 5-chloro-2-decoxyaniline

5-chloro-2-decoxyaniline (PubChem CID 55187694) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 5-chloro-2-decoxyaniline.

Molecular Properties

Compound Name5-chloro-2-decoxyaniline
PubChem CID55187694
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name5-chloro-2-decoxyaniline
SMILESCCCCCCCCCCOc1ccc(Cl)cc1N
InChIInChI=1S/C16H26ClNO/c1-2-3-4-5-6-7-8-9-12-19-16-11-10-14(17)13-15(16)18/h10-11,13H,2-9,12,18H2,1H3
InChIKeyMVPIERDAUBSNIB-UHFFFAOYSA-N
XLogP5.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.84
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-2-decoxyaniline 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

5-bromo-2-hexoxyaniline
CID 28994958
5-methoxy-2-nonoxyaniline
CID 43128995
(1R)-1-(5-chloro-2-hexoxyphenyl)ethanamine
CID 78932904
2-octoxyaniline
CID 14747235
4-chloro-2-hexadecoxyphenol
CID 19014164
3-chloro-4-nonoxyaniline
CID 43129005
5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline
CID 39418964
5-chloro-2-(2-methylsulfonylethoxy)aniline
CID 56828923
1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676
5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 103176787
3-amino-4-hexoxybenzamide
CID 43448578
5-chloro-2-nonoxybenzenesulfonyl chloride
CID 63495663

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-decoxyaniline?
The IUPAC name of 5-chloro-2-decoxyaniline (CID 55187694) is 5-chloro-2-decoxyaniline.
What is the SMILES notation for 5-chloro-2-decoxyaniline?
The canonical SMILES for 5-chloro-2-decoxyaniline is CCCCCCCCCCOc1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-decoxyaniline?
The InChIKey is MVPIERDAUBSNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-2-3-4-5-6-7-8-9-12-19-16-11-10-14(17)13-15(16)18/h10-11,13H,2-9,12,18H2,1H3.
What are the key properties of 5-chloro-2-decoxyaniline?
5-chloro-2-decoxyaniline has a molecular weight of 283.84 g/mol, XLogP of 5.44, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-decoxyaniline is sourced from PubChem (CID 55187694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).