N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine

C14H19F2NO2 — CID 115635143

IUPACN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine
SMILESCCOc1cc(CNC2(C)CC2)ccc1OC(F)F
InChIInChI=1S/C14H19F2NO2/c1-3-18-12-8-10(9-17-14(2)6-7-14)4-5-11(12)19-13(15)16/h4-5,8,13,17H,3,6-7,9H2,1-2H3
InChIKeyPQRPIJCUSJZPHH-UHFFFAOYSA-N
MW271.31 g/mol
LogP3.33
Rot. Bonds7

About N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine

N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine (PubChem CID 115635143) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine
PubChem CID115635143
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine
SMILESCCOc1cc(CNC2(C)CC2)ccc1OC(F)F
InChIInChI=1S/C14H19F2NO2/c1-3-18-12-8-10(9-17-14(2)6-7-14)4-5-11(12)19-13(15)16/h4-5,8,13,17H,3,6-7,9H2,1-2H3
InChIKeyPQRPIJCUSJZPHH-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylcyclopropan-1-amine
CID 115635166
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylcyclopentan-1-amine
CID 61365354
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine
CID 61365376
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclopentan-1-ol
CID 111114413
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957879
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol
CID 52841333
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267622
N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine
CID 83231491
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]butan-1-ol
CID 78997784
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594079
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

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine?
The IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine (CID 115635143) is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine is CCOc1cc(CNC2(C)CC2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine?
The InChIKey is PQRPIJCUSJZPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-3-18-12-8-10(9-17-14(2)6-7-14)4-5-11(12)19-13(15)16/h4-5,8,13,17H,3,6-7,9H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine?
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine has a molecular weight of 271.31 g/mol, XLogP of 3.33, 7 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-methylcyclopropan-1-amine is sourced from PubChem (CID 115635143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).