1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine

C14H16F3N — CID 55160436

IUPAC1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
SMILESCNC(C1=CCCCC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H16F3N/c1-18-14(9-5-3-2-4-6-9)10-7-11(15)13(17)12(16)8-10/h5,7-8,14,18H,2-4,6H2,1H3
InChIKeyPPOBAZQZRPLFOA-UHFFFAOYSA-N
MW255.28 g/mol
LogP3.86
Rot. Bonds3

About 1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine

1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine (PubChem CID 55160436) has the molecular formula C14H16F3N and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
PubChem CID55160436
Molecular FormulaC14H16F3N
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
SMILESCNC(C1=CCCCC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H16F3N/c1-18-14(9-5-3-2-4-6-9)10-7-11(15)13(17)12(16)8-10/h5,7-8,14,18H,2-4,6H2,1H3
InChIKeyPPOBAZQZRPLFOA-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-3-fluorophenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 107995961
1-(3-chloro-4-fluorophenyl)-1-[(1E)-cycloocten-1-yl]-N-methylmethanamine
CID 106652930
[(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol
CID 106651057
1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 62079581
1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 55034371
1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine
CID 106652492
1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 62079579
1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine
CID 82237298
1-(cyclohexen-1-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106756069
1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 62080331
1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477313
1-(cyclopenten-1-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 62079794

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine (CID 55160436) is 1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine is CNC(C1=CCCCC1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine?
The InChIKey is PPOBAZQZRPLFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N/c1-18-14(9-5-3-2-4-6-9)10-7-11(15)13(17)12(16)8-10/h5,7-8,14,18H,2-4,6H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine?
1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine has a molecular weight of 255.28 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 55160436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).