4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline

C13H20ClNO2 — CID 43192175

IUPAC4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline
SMILESCOc1cc(NC(C)C(C)C)c(OC)cc1Cl
InChIInChI=1S/C13H20ClNO2/c1-8(2)9(3)15-11-7-12(16-4)10(14)6-13(11)17-5/h6-9,15H,1-5H3
InChIKeyNZUVZGSSDXZPGJ-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.81
Rot. Bonds5

About 4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline

4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline (PubChem CID 43192175) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline
PubChem CID43192175
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline
SMILESCOc1cc(NC(C)C(C)C)c(OC)cc1Cl
InChIInChI=1S/C13H20ClNO2/c1-8(2)9(3)15-11-7-12(16-4)10(14)6-13(11)17-5/h6-9,15H,1-5H3
InChIKeyNZUVZGSSDXZPGJ-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4,5-dimethoxy-N-(3-methylbutan-2-yl)aniline
CID 43712475
4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43173439
4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline
CID 107270569
4-chloro-N-hex-5-en-2-yl-2,5-dimethoxyaniline
CID 113429521
4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline
CID 43438946
2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol
CID 43105239
6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112854664
5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline
CID 82492751
4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43192168
4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 43111565
4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447764
3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide
CID 43312033

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline (CID 43192175) is 4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline is COc1cc(NC(C)C(C)C)c(OC)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline?
The InChIKey is NZUVZGSSDXZPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-8(2)9(3)15-11-7-12(16-4)10(14)6-13(11)17-5/h6-9,15H,1-5H3.
What are the key properties of 4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline?
4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline has a molecular weight of 257.76 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 43192175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).