1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine

C10H13F2NO — CID 112608407

IUPAC1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(C)c1OC(F)F
InChIInChI=1S/C10H13F2NO/c1-7-4-3-5-8(6-13-2)9(7)14-10(11)12/h3-5,10,13H,6H2,1-2H3
InChIKeyCLEBFJSBDZEPSQ-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.32
Rot. Bonds4

About 1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine

1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine (PubChem CID 112608407) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine
PubChem CID112608407
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(C)c1OC(F)F
InChIInChI=1S/C10H13F2NO/c1-7-4-3-5-8(6-13-2)9(7)14-10(11)12/h3-5,10,13H,6H2,1-2H3
InChIKeyCLEBFJSBDZEPSQ-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

N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610199
2-[2-methyl-6-(methylaminomethyl)phenoxy]butanenitrile
CID 112608340
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228
N,N-diethyl-2-[2-methyl-6-(methylaminomethyl)phenoxy]propanamide
CID 115952158
2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
CID 112608438
2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 112608452
1-[2-(2,6-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282630
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352
N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 112608398
1-(2-decoxy-3-methylphenyl)-N-methylmethanamine
CID 115952261
1-[2-(4,4-dimethylpentoxy)-3-methylphenyl]-N-methylmethanamine
CID 114209330
N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine
CID 112608358

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine (CID 112608407) is 1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine is CNCc1cccc(C)c1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine?
The InChIKey is CLEBFJSBDZEPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-7-4-3-5-8(6-13-2)9(7)14-10(11)12/h3-5,10,13H,6H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine?
1-[2-(difluoromethoxy)-3-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)-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 112608407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).