N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine

C14H19F3N2 — CID 105415319

IUPACN,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine
SMILESCN(C)C1(CNCc2cc(F)c(F)c(F)c2)CCC1
InChIInChI=1S/C14H19F3N2/c1-19(2)14(4-3-5-14)9-18-8-10-6-11(15)13(17)12(16)7-10/h6-7,18H,3-5,8-9H2,1-2H3
InChIKeyJMGAGJWTWCZPGP-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.68
Rot. Bonds5

About N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine

N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine (PubChem CID 105415319) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine
PubChem CID105415319
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine
SMILESCN(C)C1(CNCc2cc(F)c(F)c(F)c2)CCC1
InChIInChI=1S/C14H19F3N2/c1-19(2)14(4-3-5-14)9-18-8-10-6-11(15)13(17)12(16)7-10/h6-7,18H,3-5,8-9H2,1-2H3
InChIKeyJMGAGJWTWCZPGP-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 63050334
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol
CID 79832433
1-[[(4-bromo-3-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 81002628
[1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358870
1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415633
1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine
CID 115765781
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79036169
N-[(3-methoxyoxolan-3-yl)methyl]-1-(3,4,5-trifluorophenyl)methanamine
CID 104705112
1-[[(3,4-dimethoxyphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912471
1-[[(4-bromo-3-fluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 81431518
2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
CID 115680075

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine (CID 105415319) is N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine is CN(C)C1(CNCc2cc(F)c(F)c(F)c2)CCC1.
What is the InChIKey of N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine?
The InChIKey is JMGAGJWTWCZPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-19(2)14(4-3-5-14)9-18-8-10-6-11(15)13(17)12(16)7-10/h6-7,18H,3-5,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine?
N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine has a molecular weight of 272.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 105415319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).