3-chloro-N-ethyl-2,4-dimethyl-6-(2-methylpropoxy)aniline

C14H22ClNO — CID 82265357

IUPAC3-chloro-N-ethyl-2,4-dimethyl-6-(2-methylpropoxy)aniline
SMILESCCNc1c(OCC(C)C)cc(C)c(Cl)c1C
InChIInChI=1S/C14H22ClNO/c1-6-16-14-11(5)13(15)10(4)7-12(14)17-8-9(2)3/h7,9,16H,6,8H2,1-5H3
InChIKeyHJXVPKTVECITMY-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.42
Rot. Bonds5

About 3-chloro-N-ethyl-2,4-dimethyl-6-(2-methylpropoxy)aniline

3-chloro-N-ethyl-2,4-dimethyl-6-(2-methylpropoxy)aniline (PubChem CID 82265357) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 3-chloro-N-ethyl-2,4-dimethyl-6-(2-methylpropoxy)aniline.

Molecular Properties

Compound Name3-chloro-N-ethyl-2,4-dimethyl-6-(2-methylpropoxy)aniline
PubChem CID82265357
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name3-chloro-N-ethyl-2,4-dimethyl-6-(2-methylpropoxy)aniline
SMILESCCNc1c(OCC(C)C)cc(C)c(Cl)c1C
InChIInChI=1S/C14H22ClNO/c1-6-16-14-11(5)13(15)10(4)7-12(14)17-8-9(2)3/h7,9,16H,6,8H2,1-5H3
InChIKeyHJXVPKTVECITMY-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-2,4-dimethyl-6-(2-methylpropoxy)aniline?
The IUPAC name of 3-chloro-N-ethyl-2,4-dimethyl-6-(2-methylpropoxy)aniline (CID 82265357) is 3-chloro-N-ethyl-2,4-dimethyl-6-(2-methylpropoxy)aniline.
What is the SMILES notation for 3-chloro-N-ethyl-2,4-dimethyl-6-(2-methylpropoxy)aniline?
The canonical SMILES for 3-chloro-N-ethyl-2,4-dimethyl-6-(2-methylpropoxy)aniline is CCNc1c(OCC(C)C)cc(C)c(Cl)c1C.
What is the InChIKey of 3-chloro-N-ethyl-2,4-dimethyl-6-(2-methylpropoxy)aniline?
The InChIKey is HJXVPKTVECITMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-6-16-14-11(5)13(15)10(4)7-12(14)17-8-9(2)3/h7,9,16H,6,8H2,1-5H3.
What are the key properties of 3-chloro-N-ethyl-2,4-dimethyl-6-(2-methylpropoxy)aniline?
3-chloro-N-ethyl-2,4-dimethyl-6-(2-methylpropoxy)aniline has a molecular weight of 255.79 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-2,4-dimethyl-6-(2-methylpropoxy)aniline is sourced from PubChem (CID 82265357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).