[1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol

C15H20F3NO — CID 64754496

IUPAC[1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol
SMILESOCC1(NCc2ccccc2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)13-6-8-14(11-20,9-7-13)19-10-12-4-2-1-3-5-12/h1-5,13,19-20H,6-11H2
InChIKeyZFUPSOGJMBGIOQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.26
Rot. Bonds4

About [1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol

[1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 64754496) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is [1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID64754496
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name[1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol
SMILESOCC1(NCc2ccccc2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)13-6-8-14(11-20,9-7-13)19-10-12-4-2-1-3-5-12/h1-5,13,19-20H,6-11H2
InChIKeyZFUPSOGJMBGIOQ-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of [1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol (CID 64754496) is [1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for [1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol is OCC1(NCc2ccccc2)CCC(C(F)(F)F)CC1.
What is the InChIKey of [1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is ZFUPSOGJMBGIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c16-15(17,18)13-6-8-14(11-20,9-7-13)19-10-12-4-2-1-3-5-12/h1-5,13,19-20H,6-11H2.
What are the key properties of [1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol?
[1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 287.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 64754496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).