3-chloro-N,4-dimethyl-5-octan-4-yloxyaniline

C16H26ClNO — CID 177223273

IUPAC3-chloro-N,4-dimethyl-5-octan-4-yloxyaniline
SMILESCCCCC(CCC)Oc1cc(NC)cc(Cl)c1C
InChIInChI=1S/C16H26ClNO/c1-5-7-9-14(8-6-2)19-16-11-13(18-4)10-15(17)12(16)3/h10-11,14,18H,5-9H2,1-4H3
InChIKeyWXMLRGOCLNIWPX-UHFFFAOYSA-N
MW283.84 g/mol
LogP5.43
Rot. Bonds8

About 3-chloro-N,4-dimethyl-5-octan-4-yloxyaniline

3-chloro-N,4-dimethyl-5-octan-4-yloxyaniline (PubChem CID 177223273) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 3-chloro-N,4-dimethyl-5-octan-4-yloxyaniline.

Molecular Properties

Compound Name3-chloro-N,4-dimethyl-5-octan-4-yloxyaniline
PubChem CID177223273
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name3-chloro-N,4-dimethyl-5-octan-4-yloxyaniline
SMILESCCCCC(CCC)Oc1cc(NC)cc(Cl)c1C
InChIInChI=1S/C16H26ClNO/c1-5-7-9-14(8-6-2)19-16-11-13(18-4)10-15(17)12(16)3/h10-11,14,18H,5-9H2,1-4H3
InChIKeyWXMLRGOCLNIWPX-UHFFFAOYSA-N
XLogP5.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.84
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N,4-dimethyl-5-octan-4-yloxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,4-dimethyl-5-octan-4-yloxyaniline?
The IUPAC name of 3-chloro-N,4-dimethyl-5-octan-4-yloxyaniline (CID 177223273) is 3-chloro-N,4-dimethyl-5-octan-4-yloxyaniline.
What is the SMILES notation for 3-chloro-N,4-dimethyl-5-octan-4-yloxyaniline?
The canonical SMILES for 3-chloro-N,4-dimethyl-5-octan-4-yloxyaniline is CCCCC(CCC)Oc1cc(NC)cc(Cl)c1C.
What is the InChIKey of 3-chloro-N,4-dimethyl-5-octan-4-yloxyaniline?
The InChIKey is WXMLRGOCLNIWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-5-7-9-14(8-6-2)19-16-11-13(18-4)10-15(17)12(16)3/h10-11,14,18H,5-9H2,1-4H3.
What are the key properties of 3-chloro-N,4-dimethyl-5-octan-4-yloxyaniline?
3-chloro-N,4-dimethyl-5-octan-4-yloxyaniline has a molecular weight of 283.84 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,4-dimethyl-5-octan-4-yloxyaniline is sourced from PubChem (CID 177223273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).