cis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol

C11H15NO — CID 131014562

IUPACcis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol
SMILESCN(c1ccccc1)[C@H]1CC[C@H]1O
InChIInChI=1S/C11H15NO/c1-12(10-7-8-11(10)13)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11+/m0/s1
InChIKeyCUENDJPYDWTAGV-WDEREUQCSA-N
MW177.25 g/mol
LogP1.65
Rot. Bonds2

About cis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol

cis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol (PubChem CID 131014562) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is cis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol
PubChem CID131014562
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Namecis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol
SMILESCN(c1ccccc1)[C@H]1CC[C@H]1O
InChIInChI=1S/C11H15NO/c1-12(10-7-8-11(10)13)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11+/m0/s1
InChIKeyCUENDJPYDWTAGV-WDEREUQCSA-N
XLogP1.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol
CID 10631575
(1R,4Z,8R)-8-(N-methylanilino)cyclooct-4-en-1-ol
CID 10585628
2-[methyl(pyridin-2-yl)amino]cyclobutan-1-ol
CID 126856660
cis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol
CID 166439438
[(1S,2S)-2-(N-methylanilino)cyclohexyl] acetate
CID 100993508
trans-(1R,2R)-2-(N-ethylanilino)cycloheptan-1-ol
CID 10681161
4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile
CID 62983263
trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol
CID 100955701
2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol
CID 102635903
(1S,5R)-3-(N-methylanilino)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 70654382
2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutan-1-ol
CID 126856635
N,N-dimethylaniline;methanol
CID 143205399

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol?
The IUPAC name of cis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol (CID 131014562) is cis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol is CN(c1ccccc1)[C@H]1CC[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol?
The InChIKey is CUENDJPYDWTAGV-WDEREUQCSA-N. The full InChI is InChI=1S/C11H15NO/c1-12(10-7-8-11(10)13)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol?
cis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol has a molecular weight of 177.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol is sourced from PubChem (CID 131014562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).