[1-(aminomethyl)cyclohexyl]-[4-(trifluoromethoxy)phenyl]methanol

C15H20F3NO2 — CID 79124132

IUPAC[1-(aminomethyl)cyclohexyl]-[4-(trifluoromethoxy)phenyl]methanol
SMILESNCC1(C(O)c2ccc(OC(F)(F)F)cc2)CCCCC1
InChIInChI=1S/C15H20F3NO2/c16-15(17,18)21-12-6-4-11(5-7-12)13(20)14(10-19)8-2-1-3-9-14/h4-7,13,20H,1-3,8-10,19H2
InChIKeyZJKLJCFKITXMRW-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.53
Rot. Bonds4

About [1-(aminomethyl)cyclohexyl]-[4-(trifluoromethoxy)phenyl]methanol

[1-(aminomethyl)cyclohexyl]-[4-(trifluoromethoxy)phenyl]methanol (PubChem CID 79124132) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-[4-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-[4-(trifluoromethoxy)phenyl]methanol
PubChem CID79124132
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name[1-(aminomethyl)cyclohexyl]-[4-(trifluoromethoxy)phenyl]methanol
SMILESNCC1(C(O)c2ccc(OC(F)(F)F)cc2)CCCCC1
InChIInChI=1S/C15H20F3NO2/c16-15(17,18)21-12-6-4-11(5-7-12)13(20)14(10-19)8-2-1-3-9-14/h4-7,13,20H,1-3,8-10,19H2
InChIKeyZJKLJCFKITXMRW-UHFFFAOYSA-N
XLogP3.53
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclopentyl]-(4-methylphenyl)methanol
CID 79137754
1-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1-carbonitrile
CID 79136457
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057
2-(1-hydroxycyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 68852749
[1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol
CID 79138649
[1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol
CID 79137860
[1-(aminomethyl)cyclohexyl]-(1,3-benzodioxol-5-yl)methanol
CID 79135921
3-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 94385017
1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843446
[4-(trifluoromethoxy)phenyl] 2-(1-hydroxycyclohexyl)acetate
CID 91574201
[1-[[4-(trifluoromethoxy)phenyl]methoxy]cyclopentyl]methanamine
CID 65051034
1-[2-piperazin-1-yl-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 11176215

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-[4-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-[4-(trifluoromethoxy)phenyl]methanol (CID 79124132) is [1-(aminomethyl)cyclohexyl]-[4-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-[4-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-[4-(trifluoromethoxy)phenyl]methanol is NCC1(C(O)c2ccc(OC(F)(F)F)cc2)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-[4-(trifluoromethoxy)phenyl]methanol?
The InChIKey is ZJKLJCFKITXMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c16-15(17,18)21-12-6-4-11(5-7-12)13(20)14(10-19)8-2-1-3-9-14/h4-7,13,20H,1-3,8-10,19H2.
What are the key properties of [1-(aminomethyl)cyclohexyl]-[4-(trifluoromethoxy)phenyl]methanol?
[1-(aminomethyl)cyclohexyl]-[4-(trifluoromethoxy)phenyl]methanol has a molecular weight of 303.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-[4-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 79124132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).