N-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine

C16H17F2NO2 — CID 60957867

IUPACN-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2ccc(F)cc2F)c1OC
InChIInChI=1S/C16H17F2NO2/c1-20-15-5-3-4-12(16(15)21-2)10-19-9-11-6-7-13(17)8-14(11)18/h3-8,19H,9-10H2,1-2H3
InChIKeyVPYDGGKYQYLJSV-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.27
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine

N-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine (PubChem CID 60957867) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine
PubChem CID60957867
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2ccc(F)cc2F)c1OC
InChIInChI=1S/C16H17F2NO2/c1-20-15-5-3-4-12(16(15)21-2)10-19-9-11-6-7-13(17)8-14(11)18/h3-8,19H,9-10H2,1-2H3
InChIKeyVPYDGGKYQYLJSV-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 738592
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346
1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine
CID 23882259
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569277
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine
CID 102696375
4-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,5-difluoroaniline
CID 107609950
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 52672299
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
CID 59317356
CID 59317356

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine (CID 60957867) is N-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine is COc1cccc(CNCc2ccc(F)cc2F)c1OC.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine?
The InChIKey is VPYDGGKYQYLJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-20-15-5-3-4-12(16(15)21-2)10-19-9-11-6-7-13(17)8-14(11)18/h3-8,19H,9-10H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine?
N-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine has a molecular weight of 293.31 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine is sourced from PubChem (CID 60957867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).