N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine

C19H30FN — CID 106882895

IUPACN-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(C)c(C2CCCCC2CNCC(C)C)c(F)c1
InChIInChI=1S/C19H30FN/c1-13(2)11-21-12-16-7-5-6-8-17(16)19-15(4)9-14(3)10-18(19)20/h9-10,13,16-17,21H,5-8,11-12H2,1-4H3
InChIKeyMAHUHNUDZBDQAN-UHFFFAOYSA-N
MW291.45 g/mol
LogP4.96
Rot. Bonds5

About N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine

N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 106882895) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID106882895
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(C)c(C2CCCCC2CNCC(C)C)c(F)c1
InChIInChI=1S/C19H30FN/c1-13(2)11-21-12-16-7-5-6-8-17(16)19-15(4)9-14(3)10-18(19)20/h9-10,13,16-17,21H,5-8,11-12H2,1-4H3
InChIKeyMAHUHNUDZBDQAN-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine (CID 106882895) is N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine is Cc1cc(C)c(C2CCCCC2CNCC(C)C)c(F)c1.
What is the InChIKey of N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is MAHUHNUDZBDQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-13(2)11-21-12-16-7-5-6-8-17(16)19-15(4)9-14(3)10-18(19)20/h9-10,13,16-17,21H,5-8,11-12H2,1-4H3.
What are the key properties of N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 291.45 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106882895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).