1-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine

C18H28FN — CID 65422994

IUPAC1-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(C(NC)c2ccc(F)cc2C)CC1
InChIInChI=1S/C18H28FN/c1-4-5-14-6-8-15(9-7-14)18(20-3)17-11-10-16(19)12-13(17)2/h10-12,14-15,18,20H,4-9H2,1-3H3
InChIKeyMTSDJFGIIIVSIS-UHFFFAOYSA-N
MW277.43 g/mol
LogP5.00
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine

1-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine (PubChem CID 65422994) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
PubChem CID65422994
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(C(NC)c2ccc(F)cc2C)CC1
InChIInChI=1S/C18H28FN/c1-4-5-14-6-8-15(9-7-14)18(20-3)17-11-10-16(19)12-13(17)2/h10-12,14-15,18,20H,4-9H2,1-3H3
InChIKeyMTSDJFGIIIVSIS-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 65424736
1-(2-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104991067
1-(3-ethylcyclohexyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 65415754
1-(4,4-difluorocyclohexyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142852
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 82793249
N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 55187562
N-[(4,4-dimethylcyclohexyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 65391437
N-[(4-fluoro-2-methylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415409
[2-(5-fluoro-2-methylphenyl)-1-(4-propylcyclohexyl)ethyl]hydrazine
CID 105377829
[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]hydrazine
CID 105232271
N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine
CID 65423582
1-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 105394836

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine (CID 65422994) is 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine is CCCC1CCC(C(NC)c2ccc(F)cc2C)CC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine?
The InChIKey is MTSDJFGIIIVSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-4-5-14-6-8-15(9-7-14)18(20-3)17-11-10-16(19)12-13(17)2/h10-12,14-15,18,20H,4-9H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine?
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine has a molecular weight of 277.43 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine is sourced from PubChem (CID 65422994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).