5-chloro-N-ethyl-4-methyl-2-(2-methylpropoxy)aniline

C13H20ClNO — CID 82265223

IUPAC5-chloro-N-ethyl-4-methyl-2-(2-methylpropoxy)aniline
SMILESCCNc1cc(Cl)c(C)cc1OCC(C)C
InChIInChI=1S/C13H20ClNO/c1-5-15-12-7-11(14)10(4)6-13(12)16-8-9(2)3/h6-7,9,15H,5,8H2,1-4H3
InChIKeyXYWJNVMSYRIWTC-UHFFFAOYSA-N
MW241.76 g/mol
LogP4.12
Rot. Bonds5

About 5-chloro-N-ethyl-4-methyl-2-(2-methylpropoxy)aniline

5-chloro-N-ethyl-4-methyl-2-(2-methylpropoxy)aniline (PubChem CID 82265223) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-methyl-2-(2-methylpropoxy)aniline.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-methyl-2-(2-methylpropoxy)aniline
PubChem CID82265223
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name5-chloro-N-ethyl-4-methyl-2-(2-methylpropoxy)aniline
SMILESCCNc1cc(Cl)c(C)cc1OCC(C)C
InChIInChI=1S/C13H20ClNO/c1-5-15-12-7-11(14)10(4)6-13(12)16-8-9(2)3/h6-7,9,15H,5,8H2,1-4H3
InChIKeyXYWJNVMSYRIWTC-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-ethyl-2,4-dimethyl-6-(2-methylpropoxy)aniline
CID 82265357
5-chloro-4-methyl-2-(2-methylpropoxy)aniline
CID 82265214
3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline
CID 82552173
2-chloro-N-ethyl-4-(2-methylpropoxy)aniline
CID 82551741
N'-(5-chloro-2-methoxy-4-methylphenyl)methanediamine
CID 115225402
4-butoxy-N-ethyl-2-methyl-5-propan-2-ylaniline
CID 82552696
1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene
CID 154939698
2-bromo-5-chloro-4-methyl-N-(3-methylbutyl)aniline
CID 104722862
5-chloro-N-ethyl-4-methyl-2-nitroaniline
CID 174646786
5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline
CID 82492751
1-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-3-(2-methylbutan-2-ylamino)propan-2-ol
CID 47007175
2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline
CID 104726239

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-methyl-2-(2-methylpropoxy)aniline?
The IUPAC name of 5-chloro-N-ethyl-4-methyl-2-(2-methylpropoxy)aniline (CID 82265223) is 5-chloro-N-ethyl-4-methyl-2-(2-methylpropoxy)aniline.
What is the SMILES notation for 5-chloro-N-ethyl-4-methyl-2-(2-methylpropoxy)aniline?
The canonical SMILES for 5-chloro-N-ethyl-4-methyl-2-(2-methylpropoxy)aniline is CCNc1cc(Cl)c(C)cc1OCC(C)C.
What is the InChIKey of 5-chloro-N-ethyl-4-methyl-2-(2-methylpropoxy)aniline?
The InChIKey is XYWJNVMSYRIWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-5-15-12-7-11(14)10(4)6-13(12)16-8-9(2)3/h6-7,9,15H,5,8H2,1-4H3.
What are the key properties of 5-chloro-N-ethyl-4-methyl-2-(2-methylpropoxy)aniline?
5-chloro-N-ethyl-4-methyl-2-(2-methylpropoxy)aniline has a molecular weight of 241.76 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-methyl-2-(2-methylpropoxy)aniline is sourced from PubChem (CID 82265223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).