4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline

C13H18ClNO — CID 66044486

IUPAC4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline
SMILESC=C(CC)CNc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C13H18ClNO/c1-5-9(2)8-15-12-6-10(3)11(14)7-13(12)16-4/h6-7,15H,2,5,8H2,1,3-4H3
InChIKeyGANWHVOYKJUQPE-UHFFFAOYSA-N
MW239.75 g/mol
LogP4.04
Rot. Bonds5

About 4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline

4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline (PubChem CID 66044486) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline.

Molecular Properties

Compound Name4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline
PubChem CID66044486
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline
SMILESC=C(CC)CNc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C13H18ClNO/c1-5-9(2)8-15-12-6-10(3)11(14)7-13(12)16-4/h6-7,15H,2,5,8H2,1,3-4H3
InChIKeyGANWHVOYKJUQPE-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methoxy-5-methyl-N-(3-methylbut-3-enyl)aniline
CID 114471885
4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline
CID 43387882
2,4-dimethoxy-N-(2-methylidenebutyl)aniline
CID 66044244
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 47123138
3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol
CID 115871898
2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 47123139
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopropyl-N-methylacetamide
CID 61488860
3-(4-chloro-2-methoxy-5-methylanilino)-2,2-dimethylpropanoic acid
CID 79628845
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-phenoxyphenyl)acetamide
CID 109011102
3-(4-chloro-2-methoxy-5-methylanilino)propanenitrile
CID 43082744
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline?
The IUPAC name of 4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline (CID 66044486) is 4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline.
What is the SMILES notation for 4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline?
The canonical SMILES for 4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline is C=C(CC)CNc1cc(C)c(Cl)cc1OC.
What is the InChIKey of 4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline?
The InChIKey is GANWHVOYKJUQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-5-9(2)8-15-12-6-10(3)11(14)7-13(12)16-4/h6-7,15H,2,5,8H2,1,3-4H3.
What are the key properties of 4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline?
4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline has a molecular weight of 239.75 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-5-methyl-N-(2-methylidenebutyl)aniline is sourced from PubChem (CID 66044486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).