N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine

C13H19FN2 — CID 107878648

IUPACN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine
SMILESCN(Cc1ccc(F)c(CN)c1)C1CCC1
InChIInChI=1S/C13H19FN2/c1-16(12-3-2-4-12)9-10-5-6-13(14)11(7-10)8-15/h5-7,12H,2-4,8-9,15H2,1H3
InChIKeyOXHKDSWHSTZDKK-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.27
Rot. Bonds4

About N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine

N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine (PubChem CID 107878648) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine
PubChem CID107878648
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine
SMILESCN(Cc1ccc(F)c(CN)c1)C1CCC1
InChIInChI=1S/C13H19FN2/c1-16(12-3-2-4-12)9-10-5-6-13(14)11(7-10)8-15/h5-7,12H,2-4,8-9,15H2,1H3
InChIKeyOXHKDSWHSTZDKK-UHFFFAOYSA-N
XLogP2.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine
CID 107878596
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine
CID 107878018
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol
CID 107878292
N-[(4-amino-3-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 55159078
5-[[cyclobutyl(methyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107879514
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 114011973
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 107878305
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-methylcycloheptanamine
CID 107454386
N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine
CID 107455700
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N,2-dimethylbutan-2-amine
CID 107878479
N-[[4-(aminomethyl)-3-propan-2-yloxyphenyl]methyl]-N-methylcyclohexanamine
CID 84754933

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine?
The IUPAC name of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine (CID 107878648) is N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine.
What is the SMILES notation for N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine?
The canonical SMILES for N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine is CN(Cc1ccc(F)c(CN)c1)C1CCC1.
What is the InChIKey of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine?
The InChIKey is OXHKDSWHSTZDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-16(12-3-2-4-12)9-10-5-6-13(14)11(7-10)8-15/h5-7,12H,2-4,8-9,15H2,1H3.
What are the key properties of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine?
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine has a molecular weight of 222.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine is sourced from PubChem (CID 107878648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).