trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol

C12H17NO — CID 10631575

IUPACtrans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol
SMILESCN(c1ccccc1)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C12H17NO/c1-13(10-6-3-2-4-7-10)11-8-5-9-12(11)14/h2-4,6-7,11-12,14H,5,8-9H2,1H3/t11-,12-/m1/s1
InChIKeyILTISCBLNLQAJU-VXGBXAGGSA-N
MW191.27 g/mol
LogP2.04
Rot. Bonds2

About trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol

trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol (PubChem CID 10631575) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol
PubChem CID10631575
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Nametrans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol
SMILESCN(c1ccccc1)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C12H17NO/c1-13(10-6-3-2-4-7-10)11-8-5-9-12(11)14/h2-4,6-7,11-12,14H,5,8-9H2,1H3/t11-,12-/m1/s1
InChIKeyILTISCBLNLQAJU-VXGBXAGGSA-N
XLogP2.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol
CID 131014562
(1R,4Z,8R)-8-(N-methylanilino)cyclooct-4-en-1-ol
CID 10585628
cis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol
CID 166439438
4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile
CID 62983263
trans-(1R,2R)-2-(N-ethylanilino)cycloheptan-1-ol
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trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol
CID 100955701
2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol
CID 102635903
[(1S,2S)-2-(N-methylanilino)cyclohexyl] acetate
CID 100993508
1-N-methyl-1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
CID 115117252
trans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol
CID 10421471
2-[methyl(pyridazin-3-yl)amino]cyclohexan-1-ol
CID 102636109
trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol
CID 102734447

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol (CID 10631575) is trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol is CN(c1ccccc1)[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol?
The InChIKey is ILTISCBLNLQAJU-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H17NO/c1-13(10-6-3-2-4-7-10)11-8-5-9-12(11)14/h2-4,6-7,11-12,14H,5,8-9H2,1H3/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol?
trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol is sourced from PubChem (CID 10631575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).