trans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine

C16H21N3 — CID 102738943

IUPACtrans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine
SMILESCc1ccccc1-c1cncn1[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C16H21N3/c1-12-6-2-3-7-13(12)16-10-18-11-19(16)15-9-5-4-8-14(15)17/h2-3,6-7,10-11,14-15H,4-5,8-9,17H2,1H3/t14-,15-/m1/s1
InChIKeyAOPVPLWZIKNBGG-HUUCEWRRSA-N
MW255.37 g/mol
LogP3.30
Rot. Bonds2

About trans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine

trans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine (PubChem CID 102738943) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is trans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine
PubChem CID102738943
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Nametrans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine
SMILESCc1ccccc1-c1cncn1[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C16H21N3/c1-12-6-2-3-7-13(12)16-10-18-11-19(16)15-9-5-4-8-14(15)17/h2-3,6-7,10-11,14-15H,4-5,8-9,17H2,1H3/t14-,15-/m1/s1
InChIKeyAOPVPLWZIKNBGG-HUUCEWRRSA-N
XLogP3.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine (CID 102738943) is trans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine is Cc1ccccc1-c1cncn1[C@@H]1CCCC[C@H]1N.
What is the InChIKey of trans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine?
The InChIKey is AOPVPLWZIKNBGG-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-6-2-3-7-13(12)16-10-18-11-19(16)15-9-5-4-8-14(15)17/h2-3,6-7,10-11,14-15H,4-5,8-9,17H2,1H3/t14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine?
trans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 102738943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).