N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline

C16H18FNO2 — CID 43230210

IUPACN-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
SMILESCOc1cc(C)c(NCc2ccccc2F)cc1OC
InChIInChI=1S/C16H18FNO2/c1-11-8-15(19-2)16(20-3)9-14(11)18-10-12-6-4-5-7-13(12)17/h4-9,18H,10H2,1-3H3
InChIKeyRLRWBEXXODVKCY-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.76
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline

N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline (PubChem CID 43230210) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
PubChem CID43230210
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC NameN-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
SMILESCOc1cc(C)c(NCc2ccccc2F)cc1OC
InChIInChI=1S/C16H18FNO2/c1-11-8-15(19-2)16(20-3)9-14(11)18-10-12-6-4-5-7-13(12)17/h4-9,18H,10H2,1-3H3
InChIKeyRLRWBEXXODVKCY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4,5-dimethoxy-2-methylaniline
CID 43230212
2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline
CID 783773
2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126755
4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline
CID 54865374
5-bromo-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylaniline
CID 107592012
[3-[(2-fluorophenyl)methylamino]-4-methylphenyl]methanol
CID 83962362
4-[(2-methoxyphenyl)methylamino]-2,5-dimethylphenol
CID 106954073
N-[(2-fluorophenyl)methyl]-2-methoxy-5-nitroaniline
CID 792668
2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline
CID 104726385
2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine
CID 107258624
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82563008

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline (CID 43230210) is N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline is COc1cc(C)c(NCc2ccccc2F)cc1OC.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline?
The InChIKey is RLRWBEXXODVKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11-8-15(19-2)16(20-3)9-14(11)18-10-12-6-4-5-7-13(12)17/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline?
N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-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-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline is sourced from PubChem (CID 43230210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).