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

C11H16ClNO — CID 82265214

IUPAC5-chloro-4-methyl-2-(2-methylpropoxy)aniline
SMILESCc1cc(OCC(C)C)c(N)cc1Cl
InChIInChI=1S/C11H16ClNO/c1-7(2)6-14-11-4-8(3)9(12)5-10(11)13/h4-5,7H,6,13H2,1-3H3
InChIKeyOBUKJYPYECEADQ-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.27
Rot. Bonds3

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

5-chloro-4-methyl-2-(2-methylpropoxy)aniline (PubChem CID 82265214) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 5-chloro-4-methyl-2-(2-methylpropoxy)aniline.

Molecular Properties

Compound Name5-chloro-4-methyl-2-(2-methylpropoxy)aniline
PubChem CID82265214
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name5-chloro-4-methyl-2-(2-methylpropoxy)aniline
SMILESCc1cc(OCC(C)C)c(N)cc1Cl
InChIInChI=1S/C11H16ClNO/c1-7(2)6-14-11-4-8(3)9(12)5-10(11)13/h4-5,7H,6,13H2,1-3H3
InChIKeyOBUKJYPYECEADQ-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-4-methyl-2-(2-methylpropoxy)aniline
CID 45091606
5-chloro-N-ethyl-4-methyl-2-(2-methylpropoxy)aniline
CID 82265223
1-(2-amino-4-chloro-5-methylphenoxy)ethanol
CID 174561667
2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline
CID 42643574
1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene
CID 154939698
3-chloro-N-ethyl-2,4-dimethyl-6-(2-methylpropoxy)aniline
CID 82265357
5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline
CID 63593547
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774
1-chloro-3-[3-chloro-6-methyl-2-(2-methylpropoxy)phenyl]-4-methyl-2-(2-methylpropoxy)benzene
CID 21028359
3,5-dimethyl-2-(2-methylpropoxy)aniline
CID 54853227
2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline
CID 106449346
3-amino-4-(2-methylpropoxy)benzenesulfonic acid
CID 21223116

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-2-(2-methylpropoxy)aniline?
The IUPAC name of 5-chloro-4-methyl-2-(2-methylpropoxy)aniline (CID 82265214) is 5-chloro-4-methyl-2-(2-methylpropoxy)aniline.
What is the SMILES notation for 5-chloro-4-methyl-2-(2-methylpropoxy)aniline?
The canonical SMILES for 5-chloro-4-methyl-2-(2-methylpropoxy)aniline is Cc1cc(OCC(C)C)c(N)cc1Cl.
What is the InChIKey of 5-chloro-4-methyl-2-(2-methylpropoxy)aniline?
The InChIKey is OBUKJYPYECEADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-7(2)6-14-11-4-8(3)9(12)5-10(11)13/h4-5,7H,6,13H2,1-3H3.
What are the key properties of 5-chloro-4-methyl-2-(2-methylpropoxy)aniline?
5-chloro-4-methyl-2-(2-methylpropoxy)aniline has a molecular weight of 213.71 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-2-(2-methylpropoxy)aniline is sourced from PubChem (CID 82265214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).