N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline

C16H18FNO2 — CID 61059639

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
SMILESCOc1ccc(NCc2ccc(OC)c(F)c2)cc1C
InChIInChI=1S/C16H18FNO2/c1-11-8-13(5-7-15(11)19-2)18-10-12-4-6-16(20-3)14(17)9-12/h4-9,18H,10H2,1-3H3
InChIKeyMBTSOTBUNLQEPT-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.76
Rot. Bonds5

About N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline

N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline (PubChem CID 61059639) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
PubChem CID61059639
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
SMILESCOc1ccc(NCc2ccc(OC)c(F)c2)cc1C
InChIInChI=1S/C16H18FNO2/c1-11-8-13(5-7-15(11)19-2)18-10-12-4-6-16(20-3)14(17)9-12/h4-9,18H,10H2,1-3H3
InChIKeyMBTSOTBUNLQEPT-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

3-bromo-4-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 104775863
4-bromo-3-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 65437481
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
4-methoxy-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 61059029
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-3-nitroaniline
CID 60720615
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
CID 43235500
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline
CID 43759194
2-chloro-4-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 60934643
4-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43790415
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 43332367
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline
CID 43235477
1-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913928

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline (CID 61059639) is N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline is COc1ccc(NCc2ccc(OC)c(F)c2)cc1C.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline?
The InChIKey is MBTSOTBUNLQEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11-8-13(5-7-15(11)19-2)18-10-12-4-6-16(20-3)14(17)9-12/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline?
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-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-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline is sourced from PubChem (CID 61059639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).