N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine

C13H19F2NO2 — CID 60760640

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1cc(CNC(C)(C)C)ccc1OC(F)F
InChIInChI=1S/C13H19F2NO2/c1-13(2,3)16-8-9-5-6-10(18-12(14)15)11(7-9)17-4/h5-7,12,16H,8H2,1-4H3
InChIKeySHKBWIIDNQRXNL-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.18
Rot. Bonds5

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 60760640) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
PubChem CID60760640
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1cc(CNC(C)(C)C)ccc1OC(F)F
InChIInChI=1S/C13H19F2NO2/c1-13(2,3)16-8-9-5-6-10(18-12(14)15)11(7-9)17-4/h5-7,12,16H,8H2,1-4H3
InChIKeySHKBWIIDNQRXNL-UHFFFAOYSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 103848215
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107890983
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-ethylpentan-3-amine
CID 65039727
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide
CID 61212743
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 63057094
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol
CID 83323480
N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847727
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169384519
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]propan-2-amine
CID 19868328
1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 63055789
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline
CID 78851352

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine (CID 60760640) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine is COc1cc(CNC(C)(C)C)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SHKBWIIDNQRXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-13(2,3)16-8-9-5-6-10(18-12(14)15)11(7-9)17-4/h5-7,12,16H,8H2,1-4H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 259.30 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 60760640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).