N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline

C16H19FN2O — CID 107113327

IUPACN-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)Cc1cccc(CN)c1F
InChIInChI=1S/C16H19FN2O/c1-19(14-8-3-4-9-15(14)20-2)11-13-7-5-6-12(10-18)16(13)17/h3-9H,10-11,18H2,1-2H3
InChIKeyMRRSKBFUGQWCLS-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.93
Rot. Bonds5

About N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline

N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline (PubChem CID 107113327) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline
PubChem CID107113327
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)Cc1cccc(CN)c1F
InChIInChI=1S/C16H19FN2O/c1-19(14-8-3-4-9-15(14)20-2)11-13-7-5-6-12(10-18)16(13)17/h3-9H,10-11,18H2,1-2H3
InChIKeyMRRSKBFUGQWCLS-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

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Related Compounds

N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline
CID 62018180
N-[[2-(aminomethyl)furan-3-yl]methyl]-2-methoxy-N-methylaniline
CID 62428788
4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline
CID 115366747
4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid
CID 107907694
5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline
CID 115414026
[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64770076
4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 107932729
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline
CID 61416296
4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol
CID 82978276
N-(hydrazinylmethyl)-2-methoxy-N-methylaniline
CID 115260697
N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline
CID 60965802
2-methoxy-N-methyl-N-propylaniline
CID 23198488

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline?
The IUPAC name of N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline (CID 107113327) is N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline.
What is the SMILES notation for N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline?
The canonical SMILES for N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline is COc1ccccc1N(C)Cc1cccc(CN)c1F.
What is the InChIKey of N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline?
The InChIKey is MRRSKBFUGQWCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-19(14-8-3-4-9-15(14)20-2)11-13-7-5-6-12(10-18)16(13)17/h3-9H,10-11,18H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline?
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-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 N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline is sourced from PubChem (CID 107113327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).