[4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol

C15H20F3NO2 — CID 109396354

IUPAC[4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol
SMILESOCC1CCC(NCc2ccc(OC(F)F)c(F)c2)CC1
InChIInChI=1S/C15H20F3NO2/c16-13-7-11(3-6-14(13)21-15(17)18)8-19-12-4-1-10(9-20)2-5-12/h3,6-7,10,12,15,19-20H,1-2,4-5,8-9H2
InChIKeyCKGOVOAIGGSPHR-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.07
Rot. Bonds6

About [4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol

[4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol (PubChem CID 109396354) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is [4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol
PubChem CID109396354
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name[4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol
SMILESOCC1CCC(NCc2ccc(OC(F)F)c(F)c2)CC1
InChIInChI=1S/C15H20F3NO2/c16-13-7-11(3-6-14(13)21-15(17)18)8-19-12-4-1-10(9-20)2-5-12/h3,6-7,10,12,15,19-20H,1-2,4-5,8-9H2
InChIKeyCKGOVOAIGGSPHR-UHFFFAOYSA-N
XLogP3.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol with MolForge

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Related Compounds

N-(4-methoxybenzyl)cyclohexanamine
CID 274796
2-[(4-Methoxybenzyl)amino]ethanol
CID 104469
(4-Fluorobenzyl)[3-(4-methoxyphenyl)-1-methylpropyl]amine
CID 2846620
(2-Cyclohexylidene-2-fluoroethyl)[(4-methoxyphenyl)methyl]amine
CID 23646092
4-{[4-(Benzyloxy)benzyl]amino}-1-butanol hydrochloride
CID 2958360
1-[4-[[[4-(Trifluoromethoxy)phenyl]methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53554362
2-{4-[({1-[4-(Trifluoromethoxy)phenyl]ethyl}amino)methyl]piperidin-1-yl}ethan-1-ol
CID 53572840
1-benzyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 155566392
2-(4-fluorophenyl)-N-(4-methoxybenzyl)ethanamine
CID 2063782
4-(4-methoxyphenyl)-N-[4-(trifluoromethyl)benzyl]-2-butanamine
CID 2845379
(4-Fluoro-benzyl)-(4-methoxy-benzyl)-amine
CID 738562
n-(4-Methoxybenzyl)propan-2-amine
CID 4777650

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol?
The IUPAC name of [4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol (CID 109396354) is [4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol.
What is the SMILES notation for [4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol?
The canonical SMILES for [4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol is OCC1CCC(NCc2ccc(OC(F)F)c(F)c2)CC1.
What is the InChIKey of [4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol?
The InChIKey is CKGOVOAIGGSPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c16-13-7-11(3-6-14(13)21-15(17)18)8-19-12-4-1-10(9-20)2-5-12/h3,6-7,10,12,15,19-20H,1-2,4-5,8-9H2.
What are the key properties of [4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol?
[4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol has a molecular weight of 303.32 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol is sourced from PubChem (CID 109396354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).