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

C16H19FN2O — CID 43275566

IUPAC4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline
SMILESCOc1ccc(CN(C)c2ccc(CN)cc2)cc1F
InChIInChI=1S/C16H19FN2O/c1-19(14-6-3-12(10-18)4-7-14)11-13-5-8-16(20-2)15(17)9-13/h3-9H,10-11,18H2,1-2H3
InChIKeyYFFFPJWPKGBOPD-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.93
Rot. Bonds5

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

4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline (PubChem CID 43275566) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline
PubChem CID43275566
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline
SMILESCOc1ccc(CN(C)c2ccc(CN)cc2)cc1F
InChIInChI=1S/C16H19FN2O/c1-19(14-6-3-12(10-18)4-7-14)11-13-5-8-16(20-2)15(17)9-13/h3-9H,10-11,18H2,1-2H3
InChIKeyYFFFPJWPKGBOPD-UHFFFAOYSA-N
XLogP2.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline
CID 117041608
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-nitroaniline
CID 31920907
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline
CID 62971006
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline
CID 62018742
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline
CID 106785439
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 54992107
N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine
CID 78836350
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 60681417
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014867
N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 43154838
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134121

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline (CID 43275566) is 4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline is COc1ccc(CN(C)c2ccc(CN)cc2)cc1F.
What is the InChIKey of 4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline?
The InChIKey is YFFFPJWPKGBOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-19(14-6-3-12(10-18)4-7-14)11-13-5-8-16(20-2)15(17)9-13/h3-9H,10-11,18H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline?
4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline has a molecular weight of 274.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline is sourced from PubChem (CID 43275566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).