4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride

C11H18ClNO — CID 146675441

IUPAC4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride
SMILESCOc1cc(C(C)C)c(N)cc1C.Cl
InChIInChI=1S/C11H17NO.ClH/c1-7(2)9-6-11(13-4)8(3)5-10(9)12;/h5-7H,12H2,1-4H3;1H
InChIKeyBYRMRNRJBXUDFW-UHFFFAOYSA-N
MW215.72 g/mol
LogP3.13
Rot. Bonds2

About 4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride

4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride (PubChem CID 146675441) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride.

Molecular Properties

Compound Name4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride
PubChem CID146675441
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride
SMILESCOc1cc(C(C)C)c(N)cc1C.Cl
InChIInChI=1S/C11H17NO.ClH/c1-7(2)9-6-11(13-4)8(3)5-10(9)12;/h5-7H,12H2,1-4H3;1H
InChIKeyBYRMRNRJBXUDFW-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 53.13
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

1-methoxy-2-methyl-5-propan-2-yl-4-propan-2-yloxybenzene
CID 134182068
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
4-fluoro-5-methyl-2-propan-2-ylaniline
CID 126643926
2-fluoro-4-methoxy-5-methylaniline
CID 89371124
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
4-methoxy-5-methyl-2-propan-2-ylbenzenesulfonyl chloride
CID 81004564
2,4-dimethoxy-3-methyl-6-propan-2-ylaniline
CID 102416676
5-(4-methoxy-5-methyl-2-propan-2-ylphenyl)sulfanylpyrimidine-2,4-diamine
CID 130435917
3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
2-N,4-dimethoxy-2-N,5-dimethylbenzene-1,2-diamine
CID 130552429
1-butan-2-yl-5-methoxy-2,4-dimethylbenzene
CID 144980692
1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933112

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride?
The IUPAC name of 4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride (CID 146675441) is 4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride.
What is the SMILES notation for 4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride?
The canonical SMILES for 4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride is COc1cc(C(C)C)c(N)cc1C.Cl.
What is the InChIKey of 4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride?
The InChIKey is BYRMRNRJBXUDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-7(2)9-6-11(13-4)8(3)5-10(9)12;/h5-7H,12H2,1-4H3;1H.
What are the key properties of 4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride?
4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride is sourced from PubChem (CID 146675441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).