N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyloxolan-3-amine

C14H19F2NO3 — CID 82725940

IUPACN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyloxolan-3-amine
SMILESCOc1cccc(CNC2CCOC2C)c1OC(F)F
InChIInChI=1S/C14H19F2NO3/c1-9-11(6-7-19-9)17-8-10-4-3-5-12(18-2)13(10)20-14(15)16/h3-5,9,11,14,17H,6-8H2,1-2H3
InChIKeySBOAQZJZAJLDLO-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.56
Rot. Bonds6

About N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyloxolan-3-amine

N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyloxolan-3-amine (PubChem CID 82725940) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyloxolan-3-amine
PubChem CID82725940
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC NameN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyloxolan-3-amine
SMILESCOc1cccc(CNC2CCOC2C)c1OC(F)F
InChIInChI=1S/C14H19F2NO3/c1-9-11(6-7-19-9)17-8-10-4-3-5-12(18-2)13(10)20-14(15)16/h3-5,9,11,14,17H,6-8H2,1-2H3
InChIKeySBOAQZJZAJLDLO-UHFFFAOYSA-N
XLogP2.56
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909930
(2S,3R)-N-[(3-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-amine
CID 97102484
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethylpentan-2-amine
CID 63842094
N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine
CID 82725136
N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 75525158
(2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
CID 97358207
N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine
CID 115968324
trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 94414022
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine
CID 43627884
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline
CID 78883616
6-bromo-N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 122157326
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyloxolan-3-amine (CID 82725940) is N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyloxolan-3-amine is COc1cccc(CNC2CCOC2C)c1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyloxolan-3-amine?
The InChIKey is SBOAQZJZAJLDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-9-11(6-7-19-9)17-8-10-4-3-5-12(18-2)13(10)20-14(15)16/h3-5,9,11,14,17H,6-8H2,1-2H3.
What are the key properties of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyloxolan-3-amine?
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyloxolan-3-amine has a molecular weight of 287.31 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 82725940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).