1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine

C10H13F2NO — CID 63323622

IUPAC1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1OC(F)F
InChIInChI=1S/C10H13F2NO/c1-7-3-4-9(14-10(11)12)8(5-7)6-13-2/h3-5,10,13H,6H2,1-2H3
InChIKeyDOSNFPYEFUYESC-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.32
Rot. Bonds4

About 1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine

1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine (PubChem CID 63323622) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine
PubChem CID63323622
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1OC(F)F
InChIInChI=1S/C10H13F2NO/c1-7-3-4-9(14-10(11)12)8(5-7)6-13-2/h3-5,10,13H,6H2,1-2H3
InChIKeyDOSNFPYEFUYESC-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 63323237
3-[2-(difluoromethoxy)-5-methylphenyl]propanal
CID 118848434
N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239
3-[[2-(difluoromethoxy)-5-methylphenyl]methylcarbamoylamino]propanoic acid
CID 122006016
N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-ethoxypyrimidin-4-amine
CID 133491052
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline
CID 43765856
1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine
CID 61270001
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63322567
N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine
CID 63323494
2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride
CID 119812552
methyl 6-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-2-methylpyridine-3-carboxylate
CID 133419616

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine (CID 63323622) is 1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine is CNCc1cc(C)ccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine?
The InChIKey is DOSNFPYEFUYESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-7-3-4-9(14-10(11)12)8(5-7)6-13-2/h3-5,10,13H,6H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine?
1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine has a molecular weight of 201.22 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 63323622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).