2-butan-2-yloxy-4-chloro-3-methylaniline

C11H16ClNO — CID 130526572

IUPAC2-butan-2-yloxy-4-chloro-3-methylaniline
SMILESCCC(C)Oc1c(N)ccc(Cl)c1C
InChIInChI=1S/C11H16ClNO/c1-4-7(2)14-11-8(3)9(12)5-6-10(11)13/h5-7H,4,13H2,1-3H3
InChIKeyWQKBVJXGCMCJAJ-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.41
Rot. Bonds3

About 2-butan-2-yloxy-4-chloro-3-methylaniline

2-butan-2-yloxy-4-chloro-3-methylaniline (PubChem CID 130526572) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-butan-2-yloxy-4-chloro-3-methylaniline.

Molecular Properties

Compound Name2-butan-2-yloxy-4-chloro-3-methylaniline
PubChem CID130526572
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-butan-2-yloxy-4-chloro-3-methylaniline
SMILESCCC(C)Oc1c(N)ccc(Cl)c1C
InChIInChI=1S/C11H16ClNO/c1-4-7(2)14-11-8(3)9(12)5-6-10(11)13/h5-7H,4,13H2,1-3H3
InChIKeyWQKBVJXGCMCJAJ-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
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

3-chloro-2-(1-ethoxypropan-2-yloxy)aniline
CID 103486425
4-chloro-3-methyl-2-(4-methylphenoxy)aniline
CID 112740948
5-amino-2-butan-2-yloxy-3-chlorobenzamide
CID 107197693
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
4-butan-2-yloxyaniline
CID 13097722
4-chloro-3-methyl-2-(oxan-4-ylmethoxy)aniline
CID 112740954
4-chloro-2-(3,4-difluorophenoxy)-3-methylaniline
CID 112740952
9,10-di(butan-2-yloxy)-2-chloroanthracene
CID 139930239
1-butan-2-yloxy-2,4,5-trichlorobenzene
CID 518247
8-[(2S)-butan-2-yl]oxy-5,7-dichloroquinoline
CID 100613714
4-chloro-3-methyl-2-N-(2,2,3-trimethylbutyl)benzene-1,2-diamine
CID 112740921
6-butan-2-yloxy-2-methoxypyridin-3-amine
CID 60895445

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-4-chloro-3-methylaniline?
The IUPAC name of 2-butan-2-yloxy-4-chloro-3-methylaniline (CID 130526572) is 2-butan-2-yloxy-4-chloro-3-methylaniline.
What is the SMILES notation for 2-butan-2-yloxy-4-chloro-3-methylaniline?
The canonical SMILES for 2-butan-2-yloxy-4-chloro-3-methylaniline is CCC(C)Oc1c(N)ccc(Cl)c1C.
What is the InChIKey of 2-butan-2-yloxy-4-chloro-3-methylaniline?
The InChIKey is WQKBVJXGCMCJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-4-7(2)14-11-8(3)9(12)5-6-10(11)13/h5-7H,4,13H2,1-3H3.
What are the key properties of 2-butan-2-yloxy-4-chloro-3-methylaniline?
2-butan-2-yloxy-4-chloro-3-methylaniline has a molecular weight of 213.71 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-4-chloro-3-methylaniline is sourced from PubChem (CID 130526572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).