N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline

C16H18FNO2 — CID 62810743

IUPACN-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline
SMILESCOc1cccc(CNc2ccc(F)c(C)c2)c1OC
InChIInChI=1S/C16H18FNO2/c1-11-9-13(7-8-14(11)17)18-10-12-5-4-6-15(19-2)16(12)20-3/h4-9,18H,10H2,1-3H3
InChIKeyKMXDFCLIDATHDB-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.76
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline

N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline (PubChem CID 62810743) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline
PubChem CID62810743
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline
SMILESCOc1cccc(CNc2ccc(F)c(C)c2)c1OC
InChIInChI=1S/C16H18FNO2/c1-11-9-13(7-8-14(11)17)18-10-12-5-4-6-15(19-2)16(12)20-3/h4-9,18H,10H2,1-3H3
InChIKeyKMXDFCLIDATHDB-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline
CID 104791781
N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline
CID 784077
N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline
CID 78883616
N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825857
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 103818353
N-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine
CID 22663940
3,4-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791484
4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline
CID 43716521
4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline
CID 39422649
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-methylaniline
CID 104938214
4-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-methylaniline
CID 62810217

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline (CID 62810743) is N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline is COc1cccc(CNc2ccc(F)c(C)c2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline?
The InChIKey is KMXDFCLIDATHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11-9-13(7-8-14(11)17)18-10-12-5-4-6-15(19-2)16(12)20-3/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline?
N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline has a molecular weight of 275.32 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline is sourced from PubChem (CID 62810743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).