trans-(1R,2R)-2-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclohexan-1-amine

C14H23F2N3O — CID 138000236

IUPACtrans-(1R,2R)-2-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclohexan-1-amine
SMILESCC(C)n1cncc1CN[C@@H]1CCCC[C@H]1OC(F)F
InChIInChI=1S/C14H23F2N3O/c1-10(2)19-9-17-7-11(19)8-18-12-5-3-4-6-13(12)20-14(15)16/h7,9-10,12-14,18H,3-6,8H2,1-2H3/t12-,13-/m1/s1
InChIKeySLQYGVKXFDJWEB-CHWSQXEVSA-N
MW287.35 g/mol
LogP3.10
Rot. Bonds6

About trans-(1R,2R)-2-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclohexan-1-amine

trans-(1R,2R)-2-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 138000236) has the molecular formula C14H23F2N3O and a molecular weight of 287.35 g/mol. Its IUPAC name is trans-(1R,2R)-2-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID138000236
Molecular FormulaC14H23F2N3O
Molecular Weight287.35 g/mol
Exact Mass287.18
IUPAC Nametrans-(1R,2R)-2-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclohexan-1-amine
SMILESCC(C)n1cncc1CN[C@@H]1CCCC[C@H]1OC(F)F
InChIInChI=1S/C14H23F2N3O/c1-10(2)19-9-17-7-11(19)8-18-12-5-3-4-6-13(12)20-14(15)16/h7,9-10,12-14,18H,3-6,8H2,1-2H3/t12-,13-/m1/s1
InChIKeySLQYGVKXFDJWEB-CHWSQXEVSA-N
XLogP3.10
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclohexan-1-amine (CID 138000236) is trans-(1R,2R)-2-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclohexan-1-amine is CC(C)n1cncc1CN[C@@H]1CCCC[C@H]1OC(F)F.
What is the InChIKey of trans-(1R,2R)-2-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is SLQYGVKXFDJWEB-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H23F2N3O/c1-10(2)19-9-17-7-11(19)8-18-12-5-3-4-6-13(12)20-14(15)16/h7,9-10,12-14,18H,3-6,8H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclohexan-1-amine?
trans-(1R,2R)-2-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 287.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 138000236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).