N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline

C16H19FN2 — CID 43313736

IUPACN-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
SMILESCNCc1cc(F)ccc1N(C)Cc1ccccc1
InChIInChI=1S/C16H19FN2/c1-18-11-14-10-15(17)8-9-16(14)19(2)12-13-6-4-3-5-7-13/h3-10,18H,11-12H2,1-2H3
InChIKeyKMYFSCLRVZKGES-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.18
Rot. Bonds5

About N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline

N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline (PubChem CID 43313736) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
PubChem CID43313736
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
SMILESCNCc1cc(F)ccc1N(C)Cc1ccccc1
InChIInChI=1S/C16H19FN2/c1-18-11-14-10-15(17)8-9-16(14)19(2)12-13-6-4-3-5-7-13/h3-10,18H,11-12H2,1-2H3
InChIKeyKMYFSCLRVZKGES-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313735
4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline
CID 61411466
N-benzyl-2,4-difluoro-N-methylaniline
CID 110454539
N'-[4-fluoro-2-(methylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63698685
2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol
CID 60961049
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 54984895
2-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)aniline
CID 81149545
2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 63540837
2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 43313878
N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
CID 61411671
N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 61446915
N-benzyl-4-fluoro-N-methyl-2-nitroaniline
CID 146302250

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline?
The IUPAC name of N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline (CID 43313736) is N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline.
What is the SMILES notation for N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline?
The canonical SMILES for N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline is CNCc1cc(F)ccc1N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline?
The InChIKey is KMYFSCLRVZKGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-18-11-14-10-15(17)8-9-16(14)19(2)12-13-6-4-3-5-7-13/h3-10,18H,11-12H2,1-2H3.
What are the key properties of N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline?
N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline has a molecular weight of 258.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline is sourced from PubChem (CID 43313736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).