N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine

C15H21F2NO2 — CID 115594079

IUPACN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine
SMILESCCOc1cc(CNCC2CC2C)ccc1OC(F)F
InChIInChI=1S/C15H21F2NO2/c1-3-19-14-7-11(4-5-13(14)20-15(16)17)8-18-9-12-6-10(12)2/h4-5,7,10,12,15,18H,3,6,8-9H2,1-2H3
InChIKeyZKOJAHMXMSEJCV-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.43
Rot. Bonds8

About N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine

N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine (PubChem CID 115594079) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine
PubChem CID115594079
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine
SMILESCCOc1cc(CNCC2CC2C)ccc1OC(F)F
InChIInChI=1S/C15H21F2NO2/c1-3-19-14-7-11(4-5-13(14)20-15(16)17)8-18-9-12-6-10(12)2/h4-5,7,10,12,15,18H,3,6,8-9H2,1-2H3
InChIKeyZKOJAHMXMSEJCV-UHFFFAOYSA-N
XLogP3.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine
CID 115690084
1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol
CID 63294117
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
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]-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-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine
CID 83231491
1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylbutan-2-ol
CID 63678697

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine?
The IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine (CID 115594079) is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine is CCOc1cc(CNCC2CC2C)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine?
The InChIKey is ZKOJAHMXMSEJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-3-19-14-7-11(4-5-13(14)20-15(16)17)8-18-9-12-6-10(12)2/h4-5,7,10,12,15,18H,3,6,8-9H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine?
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine has a molecular weight of 285.33 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 115594079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).