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

C15H21F2NO3 — CID 63294117

IUPAC1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol
SMILESCCOc1cc(CNCC(O)C2CC2)ccc1OC(F)F
InChIInChI=1S/C15H21F2NO3/c1-2-20-14-7-10(3-6-13(14)21-15(16)17)8-18-9-12(19)11-4-5-11/h3,6-7,11-12,15,18-19H,2,4-5,8-9H2,1H3
InChIKeyIMNXSQUKBOCJGJ-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.55
Rot. Bonds9

About 1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol

1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol (PubChem CID 63294117) has the molecular formula C15H21F2NO3 and a molecular weight of 301.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol
PubChem CID63294117
Molecular FormulaC15H21F2NO3
Molecular Weight301.33 g/mol
Exact Mass301.15
IUPAC Name1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol
SMILESCCOc1cc(CNCC(O)C2CC2)ccc1OC(F)F
InChIInChI=1S/C15H21F2NO3/c1-2-20-14-7-10(3-6-13(14)21-15(16)17)8-18-9-12(19)11-4-5-11/h3,6-7,11-12,15,18-19H,2,4-5,8-9H2,1H3
InChIKeyIMNXSQUKBOCJGJ-UHFFFAOYSA-N
XLogP2.55
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine
CID 115690084
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594079
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropanenitrile
CID 62646901
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methylprop-2-en-1-amine
CID 114615687
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]acetic acid
CID 43247472
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclopentan-1-ol
CID 111114413
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol
CID 52841333
1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylbutan-2-ol
CID 63678697
N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine
CID 83231491
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide
CID 43214426
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]thiolan-3-amine
CID 103701509
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656067

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol (CID 63294117) is 1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol is CCOc1cc(CNCC(O)C2CC2)ccc1OC(F)F.
What is the InChIKey of 1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol?
The InChIKey is IMNXSQUKBOCJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO3/c1-2-20-14-7-10(3-6-13(14)21-15(16)17)8-18-9-12(19)11-4-5-11/h3,6-7,11-12,15,18-19H,2,4-5,8-9H2,1H3.
What are the key properties of 1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol?
1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol has a molecular weight of 301.33 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol is sourced from PubChem (CID 63294117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).