trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol

C12H17NO — CID 131701457

IUPACtrans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol
SMILESCCc1ccccc1N[C@@H]1CC[C@H]1O
InChIInChI=1S/C12H17NO/c1-2-9-5-3-4-6-10(9)13-11-7-8-12(11)14/h3-6,11-14H,2,7-8H2,1H3/t11-,12-/m1/s1
InChIKeyJHUQVWDMVBKGEK-VXGBXAGGSA-N
MW191.27 g/mol
LogP2.18
Rot. Bonds3

About trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol

trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol (PubChem CID 131701457) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol
PubChem CID131701457
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Nametrans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol
SMILESCCc1ccccc1N[C@@H]1CC[C@H]1O
InChIInChI=1S/C12H17NO/c1-2-9-5-3-4-6-10(9)13-11-7-8-12(11)14/h3-6,11-14H,2,7-8H2,1H3/t11-,12-/m1/s1
InChIKeyJHUQVWDMVBKGEK-VXGBXAGGSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol
CID 102730945
(1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 59867302
2-ethyl-N-(2-methylcyclohexyl)aniline
CID 43095688
(2S,3R)-N-(2-ethylphenyl)-2-methyloxolan-3-amine
CID 97358541
N-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121623
trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol
CID 94220692
trans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol
CID 102732984
2-[2-(2-methoxyethyl)anilino]cyclopentan-1-ol
CID 102905089
trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol
CID 102730921
N-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43764534
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide
CID 62359065

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol (CID 131701457) is trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol is CCc1ccccc1N[C@@H]1CC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol?
The InChIKey is JHUQVWDMVBKGEK-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-9-5-3-4-6-10(9)13-11-7-8-12(11)14/h3-6,11-14H,2,7-8H2,1H3/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol?
trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol is sourced from PubChem (CID 131701457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).