trans-(1S,2S)-2-(4-methylanilino)cyclohexan-1-ol

C13H19NO — CID 10774626

IUPACtrans-(1S,2S)-2-(4-methylanilino)cyclohexan-1-ol
SMILESCc1ccc(N[C@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C13H19NO/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15/h6-9,12-15H,2-5H2,1H3/t12-,13-/m0/s1
InChIKeyJTCBCGKEWZZVIP-STQMWFEESA-N
MW205.30 g/mol
LogP2.71
Rot. Bonds2

About trans-(1S,2S)-2-(4-methylanilino)cyclohexan-1-ol

trans-(1S,2S)-2-(4-methylanilino)cyclohexan-1-ol (PubChem CID 10774626) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-methylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-methylanilino)cyclohexan-1-ol
PubChem CID10774626
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Nametrans-(1S,2S)-2-(4-methylanilino)cyclohexan-1-ol
SMILESCc1ccc(N[C@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C13H19NO/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15/h6-9,12-15H,2-5H2,1H3/t12-,13-/m0/s1
InChIKeyJTCBCGKEWZZVIP-STQMWFEESA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(R,S/S,R)-syn-1-(methyl(phenyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897268
(1S,2R)-1-(methyl(o-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897269
(R,S/S,R)-syn-1-(methyl(m-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897270
(R,S/S,R)-syn-1-(methyl(p-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897482
(R,S/S,R)-syn-1-((4-fluorophenyl)(methyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 44574739
(R,S/S,R)-syn-3-amino-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)propan-2-ol
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(2R,3S)-2-((4-octylphenylamino)methyl)pyrrolidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-methylanilino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(4-methylanilino)cyclohexan-1-ol (CID 10774626) is trans-(1S,2S)-2-(4-methylanilino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(4-methylanilino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(4-methylanilino)cyclohexan-1-ol is Cc1ccc(N[C@H]2CCCC[C@@H]2O)cc1.
What is the InChIKey of trans-(1S,2S)-2-(4-methylanilino)cyclohexan-1-ol?
The InChIKey is JTCBCGKEWZZVIP-STQMWFEESA-N. The full InChI is InChI=1S/C13H19NO/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15/h6-9,12-15H,2-5H2,1H3/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(4-methylanilino)cyclohexan-1-ol?
trans-(1S,2S)-2-(4-methylanilino)cyclohexan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4-methylanilino)cyclohexan-1-ol is sourced from PubChem (CID 10774626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).