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2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine

C18H28FN — CID 105374002

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCc1ccc(F)cc1CC(N)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H28FN/c1-12(2)14-5-7-15(8-6-14)18(20)11-16-10-17(19)9-4-13(16)3/h4,9-10,12,14-15,18H,5-8,11,20H2,1-3H3
InChIKeyPSUIGMYFZGQREF-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.47
Rot. Bonds4

About 2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine

2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine (PubChem CID 105374002) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
PubChem CID105374002
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCc1ccc(F)cc1CC(N)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H28FN/c1-12(2)14-5-7-15(8-6-14)18(20)11-16-10-17(19)9-4-13(16)3/h4,9-10,12,14-15,18H,5-8,11,20H2,1-3H3
InChIKeyPSUIGMYFZGQREF-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine (CID 105374002) is 2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine is Cc1ccc(F)cc1CC(N)C1CCC(C(C)C)CC1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The InChIKey is PSUIGMYFZGQREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-12(2)14-5-7-15(8-6-14)18(20)11-16-10-17(19)9-4-13(16)3/h4,9-10,12,14-15,18H,5-8,11,20H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine has a molecular weight of 277.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine is sourced from PubChem (CID 105374002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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