3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol

C15H20F3NO — CID 43747474

IUPAC3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol
SMILESCC(NC1CCCC(C(F)(F)F)C1)c1cccc(O)c1
InChIInChI=1S/C15H20F3NO/c1-10(11-4-2-7-14(20)8-11)19-13-6-3-5-12(9-13)15(16,17)18/h2,4,7-8,10,12-13,19-20H,3,5-6,9H2,1H3
InChIKeyPMHQNCVRAHVIMN-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.16
Rot. Bonds3

About 3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol

3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol (PubChem CID 43747474) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol
PubChem CID43747474
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol
SMILESCC(NC1CCCC(C(F)(F)F)C1)c1cccc(O)c1
InChIInChI=1S/C15H20F3NO/c1-10(11-4-2-7-14(20)8-11)19-13-6-3-5-12(9-13)15(16,17)18/h2,4,7-8,10,12-13,19-20H,3,5-6,9H2,1H3
InChIKeyPMHQNCVRAHVIMN-UHFFFAOYSA-N
XLogP4.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 81405721
cis-(1S,3R)-3-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 125141418
3-[1-(thian-4-ylamino)ethyl]phenol
CID 43748609
3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol
CID 43791625
N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747470
3-[1-(cyclobutylmethylamino)ethyl]phenol
CID 43298395
N-[(1R)-1-(3-bromophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448653
3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 113350639
N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 81350691
N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43244142
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81366711
3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol
CID 43206699

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol?
The IUPAC name of 3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol (CID 43747474) is 3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol.
What is the SMILES notation for 3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol?
The canonical SMILES for 3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol is CC(NC1CCCC(C(F)(F)F)C1)c1cccc(O)c1.
What is the InChIKey of 3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol?
The InChIKey is PMHQNCVRAHVIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-10(11-4-2-7-14(20)8-11)19-13-6-3-5-12(9-13)15(16,17)18/h2,4,7-8,10,12-13,19-20H,3,5-6,9H2,1H3.
What are the key properties of 3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol?
3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol has a molecular weight of 287.32 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol is sourced from PubChem (CID 43747474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).