trans-(1S,3S)-3-(2-aminoanilino)cyclohexan-1-ol

C12H18N2O — CID 139447618

IUPACtrans-(1S,3S)-3-(2-aminoanilino)cyclohexan-1-ol
SMILESNc1ccccc1N[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C12H18N2O/c13-11-6-1-2-7-12(11)14-9-4-3-5-10(15)8-9/h1-2,6-7,9-10,14-15H,3-5,8,13H2/t9-,10-/m0/s1
InChIKeyXTWHHHIVEVBFNP-UWVGGRQHSA-N
MW206.29 g/mol
LogP1.98
Rot. Bonds2

About trans-(1S,3S)-3-(2-aminoanilino)cyclohexan-1-ol

trans-(1S,3S)-3-(2-aminoanilino)cyclohexan-1-ol (PubChem CID 139447618) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is trans-(1S,3S)-3-(2-aminoanilino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3S)-3-(2-aminoanilino)cyclohexan-1-ol
PubChem CID139447618
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Nametrans-(1S,3S)-3-(2-aminoanilino)cyclohexan-1-ol
SMILESNc1ccccc1N[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C12H18N2O/c13-11-6-1-2-7-12(11)14-9-4-3-5-10(15)8-9/h1-2,6-7,9-10,14-15H,3-5,8,13H2/t9-,10-/m0/s1
InChIKeyXTWHHHIVEVBFNP-UWVGGRQHSA-N
XLogP1.98
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(Phenylamino)cyclohexanol
CID 10856300
1-(2-Aminophenyl)piperidin-4-ol
CID 16787333
(1S,2S)-2-(phenylamino)cyclohexan-1-ol
CID 9877598
trans-(1R,2R)-2-(2-fluoroanilino)cyclohexan-1-ol
CID 12079734
(1S,2S)-2-[(2-fluorophenyl)amino]cyclohexan-1-ol
CID 46187197
2-(4-Fluoroanilino)cyclohexanol
CID 59052728
cis-(1S,2R)-2-(2-fluoroanilino)cyclohexan-1-ol
CID 93346177
(3R,5S)-5-anilinohexan-3-ol
CID 10012836
(2R,4S)-4-anilinopentan-2-ol
CID 11805330
(2R,4R)-4-anilinopentan-2-ol
CID 130730473
(3R,5R)-5-anilinohexan-3-ol
CID 134905791
2-Anilinocyclohexanol
CID 10932258

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-(2-aminoanilino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,3S)-3-(2-aminoanilino)cyclohexan-1-ol (CID 139447618) is trans-(1S,3S)-3-(2-aminoanilino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,3S)-3-(2-aminoanilino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,3S)-3-(2-aminoanilino)cyclohexan-1-ol is Nc1ccccc1N[C@H]1CCC[C@H](O)C1.
What is the InChIKey of trans-(1S,3S)-3-(2-aminoanilino)cyclohexan-1-ol?
The InChIKey is XTWHHHIVEVBFNP-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H18N2O/c13-11-6-1-2-7-12(11)14-9-4-3-5-10(15)8-9/h1-2,6-7,9-10,14-15H,3-5,8,13H2/t9-,10-/m0/s1.
What are the key properties of trans-(1S,3S)-3-(2-aminoanilino)cyclohexan-1-ol?
trans-(1S,3S)-3-(2-aminoanilino)cyclohexan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-(2-aminoanilino)cyclohexan-1-ol is sourced from PubChem (CID 139447618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).