1-(4-methylcyclohexyl)-N-[(2,3,5,6-tetrafluorophenyl)methyl]methanamine

C15H19F4N — CID 142228898

IUPAC1-(4-methylcyclohexyl)-N-[(2,3,5,6-tetrafluorophenyl)methyl]methanamine
SMILESCC1CCC(CNCc2c(F)c(F)cc(F)c2F)CC1
InChIInChI=1S/C15H19F4N/c1-9-2-4-10(5-3-9)7-20-8-11-14(18)12(16)6-13(17)15(11)19/h6,9-10,20H,2-5,7-8H2,1H3
InChIKeyCQEUKFZLLPTYTH-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.16
Rot. Bonds4

About 1-(4-methylcyclohexyl)-N-[(2,3,5,6-tetrafluorophenyl)methyl]methanamine

1-(4-methylcyclohexyl)-N-[(2,3,5,6-tetrafluorophenyl)methyl]methanamine (PubChem CID 142228898) has the molecular formula C15H19F4N and a molecular weight of 289.32 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-N-[(2,3,5,6-tetrafluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-N-[(2,3,5,6-tetrafluorophenyl)methyl]methanamine
PubChem CID142228898
Molecular FormulaC15H19F4N
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC Name1-(4-methylcyclohexyl)-N-[(2,3,5,6-tetrafluorophenyl)methyl]methanamine
SMILESCC1CCC(CNCc2c(F)c(F)cc(F)c2F)CC1
InChIInChI=1S/C15H19F4N/c1-9-2-4-10(5-3-9)7-20-8-11-14(18)12(16)6-13(17)15(11)19/h6,9-10,20H,2-5,7-8H2,1H3
InChIKeyCQEUKFZLLPTYTH-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-N-[(2,3,5,6-tetrafluorophenyl)methyl]methanamine?
The IUPAC name of 1-(4-methylcyclohexyl)-N-[(2,3,5,6-tetrafluorophenyl)methyl]methanamine (CID 142228898) is 1-(4-methylcyclohexyl)-N-[(2,3,5,6-tetrafluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-methylcyclohexyl)-N-[(2,3,5,6-tetrafluorophenyl)methyl]methanamine?
The canonical SMILES for 1-(4-methylcyclohexyl)-N-[(2,3,5,6-tetrafluorophenyl)methyl]methanamine is CC1CCC(CNCc2c(F)c(F)cc(F)c2F)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-N-[(2,3,5,6-tetrafluorophenyl)methyl]methanamine?
The InChIKey is CQEUKFZLLPTYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4N/c1-9-2-4-10(5-3-9)7-20-8-11-14(18)12(16)6-13(17)15(11)19/h6,9-10,20H,2-5,7-8H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)-N-[(2,3,5,6-tetrafluorophenyl)methyl]methanamine?
1-(4-methylcyclohexyl)-N-[(2,3,5,6-tetrafluorophenyl)methyl]methanamine has a molecular weight of 289.32 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-N-[(2,3,5,6-tetrafluorophenyl)methyl]methanamine is sourced from PubChem (CID 142228898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).