5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline

C11H16ClNO — CID 82492751

IUPAC5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline
SMILESCOc1cc(C)c(Cl)cc1NC(C)C
InChIInChI=1S/C11H16ClNO/c1-7(2)13-10-6-9(12)8(3)5-11(10)14-4/h5-7,13H,1-4H3
InChIKeyOWBJZKNEXVQCFL-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.48
Rot. Bonds3

About 5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline

5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline (PubChem CID 82492751) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline
PubChem CID82492751
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline
SMILESCOc1cc(C)c(Cl)cc1NC(C)C
InChIInChI=1S/C11H16ClNO/c1-7(2)13-10-6-9(12)8(3)5-11(10)14-4/h5-7,13H,1-4H3
InChIKeyOWBJZKNEXVQCFL-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methoxy-5-methylanilino)propanenitrile
CID 60639264
4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline
CID 43191804
N'-(5-chloro-2-methoxy-4-methylphenyl)methanediamine
CID 115225402
2-[1-(4-chloro-2-methoxy-5-methylanilino)ethyl]benzene-1,3-diol
CID 107710317
4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 43191802
4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline
CID 43192175
3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide
CID 115153476
2-methoxy-4-methyl-N-propan-2-ylaniline
CID 59391426
4-chloro-2-methoxy-5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 47155540
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
N'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199799
4-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-methoxy-5-methylaniline
CID 60781299

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline?
The IUPAC name of 5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline (CID 82492751) is 5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline.
What is the SMILES notation for 5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline?
The canonical SMILES for 5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline is COc1cc(C)c(Cl)cc1NC(C)C.
What is the InChIKey of 5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline?
The InChIKey is OWBJZKNEXVQCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-7(2)13-10-6-9(12)8(3)5-11(10)14-4/h5-7,13H,1-4H3.
What are the key properties of 5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline?
5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline has a molecular weight of 213.71 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline is sourced from PubChem (CID 82492751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).