N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine

C11H17FN2 — CID 80698741

IUPACN-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine
SMILESCN(CCF)Cc1ccc(CN)cc1
InChIInChI=1S/C11H17FN2/c1-14(7-6-12)9-11-4-2-10(8-13)3-5-11/h2-5H,6-9,13H2,1H3
InChIKeyPLRYRCVUPWEDOJ-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.55
Rot. Bonds5

About N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine

N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine (PubChem CID 80698741) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine
PubChem CID80698741
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine
SMILESCN(CCF)Cc1ccc(CN)cc1
InChIInChI=1S/C11H17FN2/c1-14(7-6-12)9-11-4-2-10(8-13)3-5-11/h2-5H,6-9,13H2,1H3
InChIKeyPLRYRCVUPWEDOJ-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine
CID 43270951
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine
CID 54939511
ethyl 3-[[4-(aminomethyl)phenyl]methyl-methylamino]propanoate
CID 63380492
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 115213284
[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 60921319
3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
CID 55098335
N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865
N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
CID 115225832
1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene
CID 114958571
1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one
CID 82896599
N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60923004
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine (CID 80698741) is N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine is CN(CCF)Cc1ccc(CN)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine?
The InChIKey is PLRYRCVUPWEDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-14(7-6-12)9-11-4-2-10(8-13)3-5-11/h2-5H,6-9,13H2,1H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine?
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine has a molecular weight of 196.27 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine is sourced from PubChem (CID 80698741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).