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

C15H21F2NO3 — CID 63359991

IUPACN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxan-3-amine
SMILESCCOc1cc(CNC2CCCOC2)ccc1OC(F)F
InChIInChI=1S/C15H21F2NO3/c1-2-20-14-8-11(5-6-13(14)21-15(16)17)9-18-12-4-3-7-19-10-12/h5-6,8,12,15,18H,2-4,7,9-10H2,1H3
InChIKeyOSBCULQIDYJYDH-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.96
Rot. Bonds7

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

N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxan-3-amine (PubChem CID 63359991) has the molecular formula C15H21F2NO3 and a molecular weight of 301.33 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxan-3-amine
PubChem CID63359991
Molecular FormulaC15H21F2NO3
Molecular Weight301.33 g/mol
Exact Mass301.15
IUPAC NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxan-3-amine
SMILESCCOc1cc(CNC2CCCOC2)ccc1OC(F)F
InChIInChI=1S/C15H21F2NO3/c1-2-20-14-8-11(5-6-13(14)21-15(16)17)9-18-12-4-3-7-19-10-12/h5-6,8,12,15,18H,2-4,7,9-10H2,1H3
InChIKeyOSBCULQIDYJYDH-UHFFFAOYSA-N
XLogP2.96
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]thiolan-3-amine
CID 103701509
N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173
N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine
CID 83231491
1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137149
2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine
CID 115690084
N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine
CID 113328356
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxan-3-amine
CID 119124561
1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol
CID 63294117
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957879
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]oxan-3-amine
CID 55188959
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine
CID 115635143
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594079

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxan-3-amine?
The IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxan-3-amine (CID 63359991) is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxan-3-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxan-3-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxan-3-amine is CCOc1cc(CNC2CCCOC2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxan-3-amine?
The InChIKey is OSBCULQIDYJYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO3/c1-2-20-14-8-11(5-6-13(14)21-15(16)17)9-18-12-4-3-7-19-10-12/h5-6,8,12,15,18H,2-4,7,9-10H2,1H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxan-3-amine?
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxan-3-amine has a molecular weight of 301.33 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxan-3-amine is sourced from PubChem (CID 63359991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).