N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline

C16H18FNO2 — CID 62122449

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline
SMILESCOc1ccc(NCc2ccc(F)c(C)c2)c(OC)c1
InChIInChI=1S/C16H18FNO2/c1-11-8-12(4-6-14(11)17)10-18-15-7-5-13(19-2)9-16(15)20-3/h4-9,18H,10H2,1-3H3
InChIKeyGGBFFOOCGZRQAC-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.76
Rot. Bonds5

About N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline

N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline (PubChem CID 62122449) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline
PubChem CID62122449
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline
SMILESCOc1ccc(NCc2ccc(F)c(C)c2)c(OC)c1
InChIInChI=1S/C16H18FNO2/c1-11-8-12(4-6-14(11)17)10-18-15-7-5-13(19-2)9-16(15)20-3/h4-9,18H,10H2,1-3H3
InChIKeyGGBFFOOCGZRQAC-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-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline
CID 55040204
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419097
N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline
CID 28537972
5-bromo-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxyaniline
CID 62122161
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 104853998
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
methyl 4-[(4-fluoro-3-methylphenyl)methylamino]-3-methylbenzoate
CID 62121107
2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
CID 103585043
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline
CID 82539246
N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline
CID 63440747

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline (CID 62122449) is N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline is COc1ccc(NCc2ccc(F)c(C)c2)c(OC)c1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline?
The InChIKey is GGBFFOOCGZRQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11-8-12(4-6-14(11)17)10-18-15-7-5-13(19-2)9-16(15)20-3/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline?
N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline 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-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline is sourced from PubChem (CID 62122449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).