1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C16H26FN3 — CID 107113662

IUPAC1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(Cc1cccc(CN)c1F)CC1(N(C)C)CCC1
InChIInChI=1S/C16H26FN3/c1-19(2)16(8-5-9-16)12-20(3)11-14-7-4-6-13(10-18)15(14)17/h4,6-7H,5,8-12,18H2,1-3H3
InChIKeyAGSUAXIDCMTAEP-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.20
Rot. Bonds6

About 1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 107113662) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID107113662
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(Cc1cccc(CN)c1F)CC1(N(C)C)CCC1
InChIInChI=1S/C16H26FN3/c1-19(2)16(8-5-9-16)12-20(3)11-14-7-4-6-13(10-18)15(14)17/h4,6-7H,5,8-12,18H2,1-3H3
InChIKeyAGSUAXIDCMTAEP-UHFFFAOYSA-N
XLogP2.20
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[[methyl-[[2-(methylaminomethyl)phenyl]methyl]amino]methyl]cyclobutan-1-amine
CID 105417787
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 107113400
N,N-dimethyl-1-[[methyl(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 105421361
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
CID 105413427
2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105416124
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine
CID 107113490
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 107113587
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107113089
1-[[(3-bromo-2,6-difluorophenyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 106269248
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-5-fluorobenzoic acid
CID 105418433
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide
CID 105415064
1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416318

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 107113662) is 1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CN(Cc1cccc(CN)c1F)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is AGSUAXIDCMTAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-19(2)16(8-5-9-16)12-20(3)11-14-7-4-6-13(10-18)15(14)17/h4,6-7H,5,8-12,18H2,1-3H3.
What are the key properties of 1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 107113662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).