1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine

C17H19F2NO — CID 60711287

IUPAC1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
SMILESCc1cccc(CNCc2ccccc2OC(F)F)c1C
InChIInChI=1S/C17H19F2NO/c1-12-6-5-8-14(13(12)2)10-20-11-15-7-3-4-9-16(15)21-17(18)19/h3-9,17,20H,10-11H2,1-2H3
InChIKeyQDAXGDLNIIUBMM-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.19
Rot. Bonds6

About 1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine

1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine (PubChem CID 60711287) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
PubChem CID60711287
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
SMILESCc1cccc(CNCc2ccccc2OC(F)F)c1C
InChIInChI=1S/C17H19F2NO/c1-12-6-5-8-14(13(12)2)10-20-11-15-7-3-4-9-16(15)21-17(18)19/h3-9,17,20H,10-11H2,1-2H3
InChIKeyQDAXGDLNIIUBMM-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline
CID 60924885
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CID 93033134
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
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1-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54912949
2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]-6-methylpyridin-3-ol
CID 78928435
2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592704
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine
CID 115655473
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456082
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine
CID 115763988
1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 29051450

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine (CID 60711287) is 1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine is Cc1cccc(CNCc2ccccc2OC(F)F)c1C.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine?
The InChIKey is QDAXGDLNIIUBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-12-6-5-8-14(13(12)2)10-20-11-15-7-3-4-9-16(15)21-17(18)19/h3-9,17,20H,10-11H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine?
1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine has a molecular weight of 291.34 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine is sourced from PubChem (CID 60711287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).