4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline

C18H16FNO — CID 29054094

IUPAC4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline
SMILESCOc1ccc2cc(CNc3ccc(F)cc3)ccc2c1
InChIInChI=1S/C18H16FNO/c1-21-18-9-4-14-10-13(2-3-15(14)11-18)12-20-17-7-5-16(19)6-8-17/h2-11,20H,12H2,1H3
InChIKeyUABSMFOJXIUQPY-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.60
Rot. Bonds4

About 4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline

4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline (PubChem CID 29054094) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline
PubChem CID29054094
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline
SMILESCOc1ccc2cc(CNc3ccc(F)cc3)ccc2c1
InChIInChI=1S/C18H16FNO/c1-21-18-9-4-14-10-13(2-3-15(14)11-18)12-20-17-7-5-16(19)6-8-17/h2-11,20H,12H2,1H3
InChIKeyUABSMFOJXIUQPY-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxyaniline
CID 55245180
2-[(4-fluoroanilino)methyl]-5-methoxyphenol
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4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline
CID 82539246
3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 856495
3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 62809233
4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline
CID 62599050
N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline
CID 83961111
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine
CID 30649329
N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
CID 112982463
4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline
CID 10096933
4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645330

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline?
The IUPAC name of 4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline (CID 29054094) is 4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline is COc1ccc2cc(CNc3ccc(F)cc3)ccc2c1.
What is the InChIKey of 4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline?
The InChIKey is UABSMFOJXIUQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-21-18-9-4-14-10-13(2-3-15(14)11-18)12-20-17-7-5-16(19)6-8-17/h2-11,20H,12H2,1H3.
What are the key properties of 4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline?
4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline has a molecular weight of 281.33 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline is sourced from PubChem (CID 29054094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).