2-[4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]phenyl]ethanol

C18H21F2NO3 — CID 110902628

IUPAC2-[4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]phenyl]ethanol
SMILESCCOc1cc(CNc2ccc(CCO)cc2)ccc1OC(F)F
InChIInChI=1S/C18H21F2NO3/c1-2-23-17-11-14(5-8-16(17)24-18(19)20)12-21-15-6-3-13(4-7-15)9-10-22/h3-8,11,18,21-22H,2,9-10,12H2,1H3
InChIKeyKPOPWKJGTGZNEP-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.83
Rot. Bonds9

About 2-[4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]phenyl]ethanol

2-[4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]phenyl]ethanol (PubChem CID 110902628) has the molecular formula C18H21F2NO3 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-[4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]phenyl]ethanol
PubChem CID110902628
Molecular FormulaC18H21F2NO3
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name2-[4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]phenyl]ethanol
SMILESCCOc1cc(CNc2ccc(CCO)cc2)ccc1OC(F)F
InChIInChI=1S/C18H21F2NO3/c1-2-23-17-11-14(5-8-16(17)24-18(19)20)12-21-15-6-3-13(4-7-15)9-10-22/h3-8,11,18,21-22H,2,9-10,12H2,1H3
InChIKeyKPOPWKJGTGZNEP-UHFFFAOYSA-N
XLogP3.83
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]butan-1-ol
CID 78997784
3-[3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]phenyl]propanoic acid
CID 122044373
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropane-1,2-diol
CID 66169814
1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylbutan-2-ol
CID 63678697
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]acetic acid
CID 43247472
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methylprop-2-en-1-amine
CID 114615687
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656067
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine
CID 115635143
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide
CID 43214426
5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]pyrazine-2-carboxylic acid
CID 122047818
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119716002
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclopentan-1-ol
CID 111114413

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]phenyl]ethanol?
The IUPAC name of 2-[4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]phenyl]ethanol (CID 110902628) is 2-[4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]phenyl]ethanol?
The canonical SMILES for 2-[4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]phenyl]ethanol is CCOc1cc(CNc2ccc(CCO)cc2)ccc1OC(F)F.
What is the InChIKey of 2-[4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]phenyl]ethanol?
The InChIKey is KPOPWKJGTGZNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO3/c1-2-23-17-11-14(5-8-16(17)24-18(19)20)12-21-15-6-3-13(4-7-15)9-10-22/h3-8,11,18,21-22H,2,9-10,12H2,1H3.
What are the key properties of 2-[4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]phenyl]ethanol?
2-[4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]phenyl]ethanol has a molecular weight of 337.37 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]phenyl]ethanol is sourced from PubChem (CID 110902628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).