trans-(1R,2R)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]cyclohexan-1-ol

C15H22FNO — CID 104926585

IUPACtrans-(1R,2R)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]cyclohexan-1-ol
SMILESCc1ccc(C(C)N[C@@H]2CCCC[C@H]2O)cc1F
InChIInChI=1S/C15H22FNO/c1-10-7-8-12(9-13(10)16)11(2)17-14-5-3-4-6-15(14)18/h7-9,11,14-15,17-18H,3-6H2,1-2H3/t11?,14-,15-/m1/s1
InChIKeyMBHDRCCTUXXEPZ-PJYWTSEFSA-N
MW251.34 g/mol
LogP3.09
Rot. Bonds3

About trans-(1R,2R)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]cyclohexan-1-ol

trans-(1R,2R)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]cyclohexan-1-ol (PubChem CID 104926585) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]cyclohexan-1-ol
PubChem CID104926585
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Nametrans-(1R,2R)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]cyclohexan-1-ol
SMILESCc1ccc(C(C)N[C@@H]2CCCC[C@H]2O)cc1F
InChIInChI=1S/C15H22FNO/c1-10-7-8-12(9-13(10)16)11(2)17-14-5-3-4-6-15(14)18/h7-9,11,14-15,17-18H,3-6H2,1-2H3/t11?,14-,15-/m1/s1
InChIKeyMBHDRCCTUXXEPZ-PJYWTSEFSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 81352447
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol
CID 81352634
trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol
CID 102733281
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol
CID 62366668
trans-(1S,2S)-2-[1-(3-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 104956148
N-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83229768
trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 93419082
trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol
CID 102733815
1-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 80562217
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
CID 81371394
2-[1-(4-iodophenyl)ethylamino]cyclopentan-1-ol
CID 115891348
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43780431

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]cyclohexan-1-ol (CID 104926585) is trans-(1R,2R)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]cyclohexan-1-ol is Cc1ccc(C(C)N[C@@H]2CCCC[C@H]2O)cc1F.
What is the InChIKey of trans-(1R,2R)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]cyclohexan-1-ol?
The InChIKey is MBHDRCCTUXXEPZ-PJYWTSEFSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10-7-8-12(9-13(10)16)11(2)17-14-5-3-4-6-15(14)18/h7-9,11,14-15,17-18H,3-6H2,1-2H3/t11?,14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]cyclohexan-1-ol?
trans-(1R,2R)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]cyclohexan-1-ol has a molecular weight of 251.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 104926585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).