1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine

C15H21F2NO2 — CID 103743674

IUPAC1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCC1(CNCc2ccccc2OC(F)F)CCOCC1
InChIInChI=1S/C15H21F2NO2/c1-15(6-8-19-9-7-15)11-18-10-12-4-2-3-5-13(12)20-14(16)17/h2-5,14,18H,6-11H2,1H3
InChIKeySMADEKVQOPRAER-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.19
Rot. Bonds6

About 1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine

1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine (PubChem CID 103743674) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine
PubChem CID103743674
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCC1(CNCc2ccccc2OC(F)F)CCOCC1
InChIInChI=1S/C15H21F2NO2/c1-15(6-8-19-9-7-15)11-18-10-12-4-2-3-5-13(12)20-14(16)17/h2-5,14,18H,6-11H2,1H3
InChIKeySMADEKVQOPRAER-UHFFFAOYSA-N
XLogP3.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine with MolForge

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Related Compounds

3-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848379
1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724428
N-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103743564
1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743661
4-[[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 78928486
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
1-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54912949
2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592704
N-[[2-(difluoromethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine
CID 43675802
1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
CID 60711287
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111004328

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine (CID 103743674) is 1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine is CC1(CNCc2ccccc2OC(F)F)CCOCC1.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine?
The InChIKey is SMADEKVQOPRAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-15(6-8-19-9-7-15)11-18-10-12-4-2-3-5-13(12)20-14(16)17/h2-5,14,18H,6-11H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine?
1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine has a molecular weight of 285.33 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-[(4-methyloxan-4-yl)methyl]methanamine is sourced from PubChem (CID 103743674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).