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

C12H14F3N — CID 115765781

IUPAC1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine
SMILESCC1(NCc2cc(F)c(F)c(F)c2)CCC1
InChIInChI=1S/C12H14F3N/c1-12(3-2-4-12)16-7-8-5-9(13)11(15)10(14)6-8/h5-6,16H,2-4,7H2,1H3
InChIKeyMPOMMRKFVJOLJO-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.14
Rot. Bonds3

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

1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine (PubChem CID 115765781) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine
PubChem CID115765781
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine
SMILESCC1(NCc2cc(F)c(F)c(F)c2)CCC1
InChIInChI=1S/C12H14F3N/c1-12(3-2-4-12)16-7-8-5-9(13)11(15)10(14)6-8/h5-6,16H,2-4,7H2,1H3
InChIKeyMPOMMRKFVJOLJO-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765892
N-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine
CID 79710408
N-[(4-bromo-3-fluorophenyl)methyl]-1-methylcyclopropan-1-amine
CID 115702499
N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclobutan-1-amine
CID 105415319
N,N-dimethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 63050334
N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765891
4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol
CID 115978825
N-[(3,4-difluorophenyl)methyl]-3-methyloxan-3-amine
CID 113348018
[3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol
CID 63051065
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine
CID 115765833
2,6-dibromo-4-[[(1-methylcyclohexyl)amino]methyl]phenol
CID 107740736
N-methoxy-1-(3,4,5-trifluorophenyl)methanamine
CID 82706221

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine (CID 115765781) is 1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine is CC1(NCc2cc(F)c(F)c(F)c2)CCC1.
What is the InChIKey of 1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine?
The InChIKey is MPOMMRKFVJOLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-12(3-2-4-12)16-7-8-5-9(13)11(15)10(14)6-8/h5-6,16H,2-4,7H2,1H3.
What are the key properties of 1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine?
1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine has a molecular weight of 229.24 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 115765781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).