1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol

C17H25F2NO3 — CID 52841333

IUPAC1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol
SMILESCCOc1cc(CNCC2(O)CCCCC2)ccc1OC(F)F
InChIInChI=1S/C17H25F2NO3/c1-2-22-15-10-13(6-7-14(15)23-16(18)19)11-20-12-17(21)8-4-3-5-9-17/h6-7,10,16,20-21H,2-5,8-9,11-12H2,1H3
InChIKeyPIAHETHQJMXZQH-UHFFFAOYSA-N
MW329.39 g/mol
LogP3.47
Rot. Bonds8

About 1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol

1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 52841333) has the molecular formula C17H25F2NO3 and a molecular weight of 329.39 g/mol. Its IUPAC name is 1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol
PubChem CID52841333
Molecular FormulaC17H25F2NO3
Molecular Weight329.39 g/mol
Exact Mass329.18
IUPAC Name1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol
SMILESCCOc1cc(CNCC2(O)CCCCC2)ccc1OC(F)F
InChIInChI=1S/C17H25F2NO3/c1-2-22-15-10-13(6-7-14(15)23-16(18)19)11-20-12-17(21)8-4-3-5-9-17/h6-7,10,16,20-21H,2-5,8-9,11-12H2,1H3
InChIKeyPIAHETHQJMXZQH-UHFFFAOYSA-N
XLogP3.47
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclopentan-1-ol
CID 111114413
2-[2-ethoxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N,N-dimethylpropanamide
CID 119108457
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267622
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957879
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine
CID 115635143
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656067
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]acetic acid
CID 43247472
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methylprop-2-en-1-amine
CID 114615687
4-[5-[[(1-hydroxycyclohexyl)methylamino]methyl]-2-methoxyphenoxy]butanenitrile
CID 56823435
2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine
CID 115690084
1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol
CID 63294117
1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208536

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol (CID 52841333) is 1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol is CCOc1cc(CNCC2(O)CCCCC2)ccc1OC(F)F.
What is the InChIKey of 1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is PIAHETHQJMXZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO3/c1-2-22-15-10-13(6-7-14(15)23-16(18)19)11-20-12-17(21)8-4-3-5-9-17/h6-7,10,16,20-21H,2-5,8-9,11-12H2,1H3.
What are the key properties of 1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol?
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 329.39 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 52841333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).