N-cyclobutyl-2-methoxy-N-methylaniline

C12H17NO — CID 142063552

IUPACN-cyclobutyl-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)C1CCC1
InChIInChI=1S/C12H17NO/c1-13(10-6-5-7-10)11-8-3-4-9-12(11)14-2/h3-4,8-10H,5-7H2,1-2H3
InChIKeyGLVHZBBEQNXGLF-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.68
Rot. Bonds3

About N-cyclobutyl-2-methoxy-N-methylaniline

N-cyclobutyl-2-methoxy-N-methylaniline (PubChem CID 142063552) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-cyclobutyl-2-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-cyclobutyl-2-methoxy-N-methylaniline
PubChem CID142063552
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-cyclobutyl-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)C1CCC1
InChIInChI=1S/C12H17NO/c1-13(10-6-5-7-10)11-8-3-4-9-12(11)14-2/h3-4,8-10H,5-7H2,1-2H3
InChIKeyGLVHZBBEQNXGLF-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-N-cyclopentyl-2-N-methylbenzene-1,2-diamine
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N-iodo-2-methoxy-N-methylaniline
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4-N-(2-ethoxyphenyl)-4-N-methylcyclohexane-1,4-diamine
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4-(2-ethoxy-N-methylanilino)cyclohexan-1-one
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1-cyclohexyl-2-(2-methoxyphenyl)-1-methylhydrazine
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N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine
CID 55190297
(1S)-1-[2-[cyclopentyl(methyl)amino]phenyl]ethanol
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CID 64789926

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-methoxy-N-methylaniline?
The IUPAC name of N-cyclobutyl-2-methoxy-N-methylaniline (CID 142063552) is N-cyclobutyl-2-methoxy-N-methylaniline.
What is the SMILES notation for N-cyclobutyl-2-methoxy-N-methylaniline?
The canonical SMILES for N-cyclobutyl-2-methoxy-N-methylaniline is COc1ccccc1N(C)C1CCC1.
What is the InChIKey of N-cyclobutyl-2-methoxy-N-methylaniline?
The InChIKey is GLVHZBBEQNXGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-13(10-6-5-7-10)11-8-3-4-9-12(11)14-2/h3-4,8-10H,5-7H2,1-2H3.
What are the key properties of N-cyclobutyl-2-methoxy-N-methylaniline?
N-cyclobutyl-2-methoxy-N-methylaniline has a molecular weight of 191.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-methoxy-N-methylaniline is sourced from PubChem (CID 142063552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).