4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline

C13H21NO — CID 94885289

IUPAC4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline
SMILESCOc1ccc(N[C@@H](C)C(C)C)c(C)c1
InChIInChI=1S/C13H21NO/c1-9(2)11(4)14-13-7-6-12(15-5)8-10(13)3/h6-9,11,14H,1-5H3/t11-/m0/s1
InChIKeyJXLPTRWSOURFEQ-NSHDSACASA-N
MW207.32 g/mol
LogP3.46
Rot. Bonds4

About 4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline

4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline (PubChem CID 94885289) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline
PubChem CID94885289
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline
SMILESCOc1ccc(N[C@@H](C)C(C)C)c(C)c1
InChIInChI=1S/C13H21NO/c1-9(2)11(4)14-13-7-6-12(15-5)8-10(13)3/h6-9,11,14H,1-5H3/t11-/m0/s1
InChIKeyJXLPTRWSOURFEQ-NSHDSACASA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-but-3-en-2-yl-4-methoxy-2-methylaniline
CID 107906934
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-methylaniline
CID 62867709
4-methoxy-N-(3-methylbutan-2-yl)-2-nitroaniline
CID 43084346
methyl 3-(4-methoxy-2-methylanilino)butanoate
CID 62873162
4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 62868006
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline
CID 116501292
N-(dithiophen-2-ylmethyl)-4-methoxy-2-methylaniline
CID 62871322
1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
CID 43482752
N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide
CID 107028771
propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate
CID 116655687
4-methoxy-2-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 62872602

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline?
The IUPAC name of 4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline (CID 94885289) is 4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline.
What is the SMILES notation for 4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline?
The canonical SMILES for 4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline is COc1ccc(N[C@@H](C)C(C)C)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline?
The InChIKey is JXLPTRWSOURFEQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)11(4)14-13-7-6-12(15-5)8-10(13)3/h6-9,11,14H,1-5H3/t11-/m0/s1.
What are the key properties of 4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline?
4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline has a molecular weight of 207.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline is sourced from PubChem (CID 94885289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).